(3aS,6R,6aS,10aR,11aS,11bR)-2-(4-ethylphenyl)-6-(3-methyl-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-(4-ethylphenyl)-6-(3-methyl-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-(4-ethylphenyl)-6-(4-hydroxy-3-methyl-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-(4-ethylphenyl)-6-(4-hydroxy-3-methylphenyl)-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-(4-ethylphenyl)-6-(4-hydroxy-3-methylphenyl)-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-(4-ethylphenyl)-6-(4-hydroxy-3-methyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C43H37NO5 MolecularWeight: 647.75758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=CC(=C(C=C6)O)C)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CCC1=CC=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)C)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C43H37NO5/c1-3-26-14-17-30(18-15-26)44-41(48)32-20-19-31-34(38(32)42(44)49)23-35-40(47)33(27-10-6-4-7-11-27)24-37(46)43(35,29-12-8-5-9-13-29)39(31)28-16-21-36(45)25(2)22-28/h4-19,21-22,24,32,34-35,38-39,45H,3,20,23H2,1-2H3/t32-,34+,35-,38-,39-,43-/m0/s1