(3aS,6R,6aS,10aR,11aS,11bR)-2-[4-[(4-dimethylaminophenyl)diazenyl]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-[4-[(4-dimethylaminophenyl)diazenyl]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-[4-(4-dimethylaminophenyl)azophenyl]-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-[4-(4-dimethylaminophenyl)azophenyl]-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-[4-[(4-dimethylaminophenyl)diazenyl]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-[4-(4-dimethylaminophenyl)azophenyl]-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: C49H42N4O6 MolecularWeight: 782.88098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6C(=O)C(=CC(=O)C6(C5C7=C(C=C(C=C7)O)OC)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=C(C=C(C=C7)O)OC)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C49H42N4O6/c1-52(2)33-18-14-31(15-19-33)50-51-32-16-20-34(21-17-32)53-47(57)38-25-24-36-40(44(38)48(53)58)27-41-46(56)39(29-10-6-4-7-11-29)28-43(55)49(41,30-12-8-5-9-13-30)45(36)37-23-22-35(54)26-42(37)59-3/h4-24,26,28,38,40-41,44-45,54H,25,27H2,1-3H3/t38-,40+,41-,44-,45+,49-/m0/s1