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

Systemtic Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(3-chloranyl-4-methyl-phenyl)-6-(2-methoxy-4-oxidanyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methyl-phenyl)-6-(4-hydroxy-2-methoxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methylphenyl)-6-(4-hydroxy-2-methoxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methylphenyl)-6-(4-hydroxy-2-methoxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(3-chloro-4-methyl-phenyl)-6-(4-hydroxy-2-methoxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C42H34ClNO6 MolecularWeight: 684.17546

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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=C(C=C(C=C6)O)OC)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=C(C=C(C=C6)O)OC)C7=CC=CC=C7)C8=CC=CC=C8)Cl

InChI

InChI=1S/C42H34ClNO6/c1-23-13-14-26(19-34(23)43)44-40(48)30-18-17-28-32(37(30)41(44)49)21-33-39(47)31(24-9-5-3-6-10-24)22-36(46)42(33,25-11-7-4-8-12-25)38(28)29-16-15-27(45)20-35(29)50-2/h3-17,19-20,22,30,32-33,37-38,45H,18,21H2,1-2H3/t30-,32+,33-,37-,38+,42-/m0/s1