(3aS,6R,6aS,10aR,11aS,11bR)-2-[4-(dimethylamino)-3,5-dinitro-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-(dimethylamino)-3,5-dinitro-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-(dimethylamino)-3,5-dinitro-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-[4-(dimethylamino)-3,5-dinitrophenyl]-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-(dimethylamino)-3,5-dinitrophenyl]-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-(dimethylamino)-3,5-dinitro-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: C43H36N4O10 MolecularWeight: 768.76674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=C(C=C(C=C6)O)OC)C7=CC=CC=C7)C8=CC=CC=C8)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)OC)C7=CC=CC=C7)C8=CC=CC=C8)[N+](=O)[O-]

InChI

InChI=1S/C43H36N4O10/c1-44(2)39-33(46(53)54)18-25(19-34(39)47(55)56)45-41(51)29-17-16-27-31(37(29)42(45)52)21-32-40(50)30(23-10-6-4-7-11-23)22-36(49)43(32,24-12-8-5-9-13-24)38(27)28-15-14-26(48)20-35(28)57-3/h4-16,18-20,22,29,31-32,37-38,48H,17,21H2,1-3H3/t29-,31+,32-,37-,38+,43-/m0/s1