11542423
  -OEChem-08092309022D

 97102  0     0  0  0  0  0  0999 V2000
    7.3080   -0.0047    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1662   -5.9982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6389    0.7384    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9990   -0.9558    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9260    1.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463   -1.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388    3.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0228   -3.2886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6237   -3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    3.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7632   -2.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4179   -4.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388    4.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4295   -4.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878    3.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0282   -3.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878    5.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863   -4.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    3.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    4.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1237   -2.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6018   -3.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8203   -4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2788    2.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3591   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2788    5.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7909   -5.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9068   -4.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    6.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7044   -6.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3006    6.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9819   -6.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    1.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6681   -1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0978   -4.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    5.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022   -5.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6389    7.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8090   -7.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916    7.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0864   -7.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1842   -4.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887   -6.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6607    7.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9999   -7.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0797   -5.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2340    2.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0224    3.0787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1284   -2.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3033   -2.2096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0224    5.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2340    5.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4191   -4.7157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0346   -4.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5133    3.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3793    3.2405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2421    4.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2421    4.2789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3793    5.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5133    5.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6606   -2.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4337   -1.7202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5868   -1.9471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4729   -3.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2083   -3.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7308   -2.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7313    2.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    1.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8117   -2.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9774   -3.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5544    6.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060   -5.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    5.6999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -6.2014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    2.7897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1626   -3.5736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    5.5956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038   -6.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0537    8.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3754   -7.5192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3852    7.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5848   -7.8126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    2.7897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6826   -4.2326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    5.5956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239   -6.7959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4691    8.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0648   -8.4715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 54  1  0  0  0  0
  3 55  1  0  0  0  0
  4 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6 38  2  0  0  0  0
  7 39  2  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 56  1  0  0  0  0
 12 57  1  0  0  0  0
 13 58  1  0  0  0  0
 13 59  1  0  0  0  0
 14 16  1  0  0  0  0
 14 60  1  0  0  0  0
 14 61  1  0  0  0  0
 15 17  1  0  0  0  0
 15 62  1  0  0  0  0
 15 63  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 26  2  0  0  0  0
 18 28  1  0  0  0  0
 19 27  2  0  0  0  0
 19 29  1  0  0  0  0
 20 26  1  0  0  0  0
 20 30  1  0  0  0  0
 21 27  1  0  0  0  0
 21 31  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 70  1  0  0  0  0
 24 71  1  0  0  0  0
 24 72  1  0  0  0  0
 25 73  1  0  0  0  0
 25 74  1  0  0  0  0
 25 75  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 38  1  0  0  0  0
 28 76  1  0  0  0  0
 28 77  1  0  0  0  0
 29 39  1  0  0  0  0
 29 78  1  0  0  0  0
 29 79  1  0  0  0  0
 30 34  2  0  0  0  0
 30 36  1  0  0  0  0
 31 35  2  0  0  0  0
 31 37  1  0  0  0  0
 32 40  2  0  0  0  0
 32 42  1  0  0  0  0
 33 41  2  0  0  0  0
 33 43  1  0  0  0  0
 34 44  1  0  0  0  0
 34 80  1  0  0  0  0
 35 45  1  0  0  0  0
 35 81  1  0  0  0  0
 36 46  2  0  0  0  0
 36 82  1  0  0  0  0
 37 47  2  0  0  0  0
 37 83  1  0  0  0  0
 40 48  1  0  0  0  0
 40 84  1  0  0  0  0
 41 49  1  0  0  0  0
 41 85  1  0  0  0  0
 42 50  2  0  0  0  0
 42 86  1  0  0  0  0
 43 51  2  0  0  0  0
 43 87  1  0  0  0  0
 44 52  2  0  0  0  0
 44 88  1  0  0  0  0
 45 53  2  0  0  0  0
 45 89  1  0  0  0  0
 46 52  1  0  0  0  0
 46 90  1  0  0  0  0
 47 53  1  0  0  0  0
 47 91  1  0  0  0  0
 48 54  2  0  0  0  0
 48 92  1  0  0  0  0
 49 55  2  0  0  0  0
 49 93  1  0  0  0  0
 50 54  1  0  0  0  0
 50 94  1  0  0  0  0
 51 55  1  0  0  0  0
 51 95  1  0  0  0  0
 52 96  1  0  0  0  0
 53 97  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11542423

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
531

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/OAAGAAAABAAAAAAAAAAAAWLFiwAwYMGAAAAWLAAB9AAAHgIAAAAADgrBniQyiJMMEACoAyTyTACCgCAhBSAI2CE4RpgIIHrBl5GEIAhmwAHIyAeYyPCPhAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
strontium;2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate

> <PUBCHEM_IUPAC_CAS_NAME>
strontium;2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate

> <PUBCHEM_IUPAC_NAME_MARKUP>
strontium;2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate

> <PUBCHEM_IUPAC_NAME>
strontium;2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
strontium;2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
strontium;2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C23H22ClNO2.Sr/c2*1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23;/h2*3-11H,12-14H2,1-2H3,(H,26,27);/q;;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
LRDCMWNTZTVTAN-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
844.1577755

> <PUBCHEM_MOLECULAR_FORMULA>
C46H42Cl2N2O4Sr

> <PUBCHEM_MOLECULAR_WEIGHT>
845.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC2=C(C(=C(N2C1)CC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C.CC1(CC2=C(C(=C(N2C1)CC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C.[Sr+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC2=C(C(=C(N2C1)CC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C.CC1(CC2=C(C(=C(N2C1)CC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C.[Sr+2]

> <PUBCHEM_CACTVS_TPSA>
90.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
844.1577755

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
55

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  20  8
17  21  8
18  26  8
19  27  8
20  26  8
21  27  8
30  34  8
30  36  8
31  35  8
31  37  8
32  40  8
32  42  8
33  41  8
33  43  8
34  44  8
35  45  8
36  46  8
37  47  8
40  48  8
41  49  8
42  50  8
43  51  8
44  52  8
45  53  8
46  52  8
47  53  8
48  54  8
49  55  8
50  54  8
51  55  8
8  16  8
8  18  8
9  17  8
9  19  8

$$$$
