(3aS,6R,6aS,10aR,11aS,11bR)-2-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-6-(3,5-dimethyl-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-[(4-dimethylaminophenyl)diazenyl]phenyl]-6-(3,5-dimethyl-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-(4-dimethylaminophenyl)azophenyl]-6-(4-hydroxy-3,5-dimethyl-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-(4-dimethylaminophenyl)azophenyl]-6-(4-hydroxy-3,5-dimethylphenyl)-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-[(4-dimethylaminophenyl)diazenyl]phenyl]-6-(4-hydroxy-3,5-dimethylphenyl)-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-(4-dimethylaminophenyl)azophenyl]-6-(4-hydroxy-3,5-dimethyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C50H44N4O5 MolecularWeight: 780.90816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[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=C(C=C8)N=NC9=CC=C(C=C9)N(C)C

InChI

InChI=1S/C50H44N4O5/c1-29-25-32(26-30(2)46(29)56)45-38-23-24-39-44(49(59)54(48(39)58)37-21-17-35(18-22-37)52-51-34-15-19-36(20-16-34)53(3)4)41(38)27-42-47(57)40(31-11-7-5-8-12-31)28-43(55)50(42,45)33-13-9-6-10-14-33/h5-23,25-26,28,39,41-42,44-45,56H,24,27H2,1-4H3/t39-,41+,42-,44-,45-,50-/m0/s1