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

Systemtic Name: strontium 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanoate Openeye Name: strontium 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate CAS Name: strontium 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate IUPAC Name: strontium 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate Traditional Name: strontium 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate Formula: C46H42Cl2N2O4Sr MolecularWeight: 845.36268

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Descriptors Computed from Structure

Canonical 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]

Isomeric 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]

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