(3aS,6R,6aS,10aR,11aS,11bR)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-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-(dimethylamino)-3,5-dinitro-phenyl]-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-(dimethylamino)-3,5-dinitro-phenyl]-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-(dimethylamino)-3,5-dinitrophenyl]-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-(dimethylamino)-3,5-dinitrophenyl]-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-(dimethylamino)-3,5-dinitro-phenyl]-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: C43H36N4O9 MolecularWeight: 752.76734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)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+](=O)[O-])N(C)C)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=CC(=C1)[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+](=O)[O-])N(C)C)[N+](=O)[O-])O

InChI

InChI=1S/C43H36N4O9/c1-23-18-25(14-17-35(23)48)38-28-15-16-29-37(42(52)45(41(29)51)27-19-33(46(53)54)39(44(2)3)34(20-27)47(55)56)31(28)21-32-40(50)30(24-10-6-4-7-11-24)22-36(49)43(32,38)26-12-8-5-9-13-26/h4-15,17-20,22,29,31-32,37-38,48H,16,21H2,1-3H3/t29-,31+,32-,37-,38-,43-/m0/s1