(3aS,6S,6aS,10aR,11aS,11bR)-2-(3-chloranyl-4-methyl-phenyl)-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Systemtic Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-(3-chloranyl-4-methyl-phenyl)-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methyl-phenyl)-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methylphenyl)-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methylphenyl)-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methyl-phenyl)-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C41H32ClNO5 MolecularWeight: 654.14948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)Cl

InChI

InChI=1S/C41H32ClNO5/c1-23-12-15-27(20-34(23)42)43-39(47)30-19-18-29-32(36(30)40(43)48)21-33-38(46)31(24-8-4-2-5-9-24)22-35(45)41(33,26-10-6-3-7-11-26)37(29)25-13-16-28(44)17-14-25/h2-18,20,22,30,32-33,36-37,44H,19,21H2,1H3/t30-,32+,33-,36-,37-,41-/m0/s1