(3aS,6R,6aS,10aR,11aS,11bR)-2-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)phenyl]-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-[3,5-bis(trifluoromethyl)phenyl]-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-[3,5-bis(trifluoromethyl)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: C43H31F6NO6 MolecularWeight: 771.699759

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C43H31F6NO6/c1-56-34-19-27(51)12-13-29(34)37-28-14-15-30-36(40(55)50(39(30)54)26-17-24(42(44,45)46)16-25(18-26)43(47,48)49)32(28)20-33-38(53)31(22-8-4-2-5-9-22)21-35(52)41(33,37)23-10-6-3-7-11-23/h2-14,16-19,21,30,32-33,36-37,51H,15,20H2,1H3/t30-,32+,33-,36-,37+,41-/m0/s1