(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-2-[4-[(4-dimethylaminophenyl)diazenyl]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,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-2-[4-[(4-dimethylaminophenyl)diazenyl]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,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxy-phenyl)-2-[4-(4-dimethylaminophenyl)azophenyl]-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)-6-(2-chloro-4-hydroxyphenyl)-2-[4-(4-dimethylaminophenyl)azophenyl]-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)-6-(2-chloro-4-hydroxyphenyl)-2-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]-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)-6-(2-chloro-4-hydroxy-phenyl)-2-[4-(4-dimethylaminophenyl)azophenyl]-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C48H39ClN4O5 MolecularWeight: 787.30006

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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)Cl)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)Cl)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C48H39ClN4O5/c1-52(2)32-17-13-30(14-18-32)50-51-31-15-19-33(20-16-31)53-46(57)37-24-23-35-39(43(37)47(53)58)26-40-45(56)38(28-9-5-3-6-10-28)27-42(55)48(40,29-11-7-4-8-12-29)44(35)36-22-21-34(54)25-41(36)49/h3-23,25,27,37,39-40,43-44,54H,24,26H2,1-2H3/t37-,39+,40-,43-,44+,48-/m0/s1