(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-[4-(phenylcarbonyl)phenyl]-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)-6-(2-chloranyl-4-oxidanyl-phenyl)-6a,9-diphenyl-2-[4-(phenylcarbonyl)phenyl]-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-(4-benzoylphenyl)-6-(2-chloro-4-hydroxy-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,6S,6aS,10aR,11aS,11bR)-2-(4-benzoylphenyl)-6-(2-chloro-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-(4-benzoylphenyl)-6-(2-chloro-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-(4-benzoylphenyl)-6-(2-chloro-4-hydroxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C47H34ClNO6 MolecularWeight: 744.22896

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CC3C(=O)C(=CC(=O)C3(C2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC=CC=C6)C7C1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9

Isomeric SMILES

C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9

InChI

InChI=1S/C47H34ClNO6/c48-39-24-32(50)20-21-34(39)42-33-22-23-35-41(46(55)49(45(35)54)31-18-16-29(17-19-31)43(52)28-12-6-2-7-13-28)37(33)25-38-44(53)36(27-10-4-1-5-11-27)26-40(51)47(38,42)30-14-8-3-9-15-30/h1-22,24,26,35,37-38,41-42,50H,23,25H2/t35-,37+,38-,41-,42+,47-/m0/s1