(3aS,6S,6aS,10aR,11aS,11bR)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6-(4-hydroxyphenyl)-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)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6-(4-hydroxyphenyl)-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)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6-(4-hydroxyphenyl)-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)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-(4-hydroxyphenyl)-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)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-(4-hydroxyphenyl)-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)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6-(4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C42H34N4O9 MolecularWeight: 738.74076

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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=CC=C(C=C6)O)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=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)[N+](=O)[O-]

InChI

InChI=1S/C42H34N4O9/c1-43(2)38-33(45(52)53)19-26(20-34(38)46(54)55)44-40(50)29-18-17-28-31(36(29)41(44)51)21-32-39(49)30(23-9-5-3-6-10-23)22-35(48)42(32,25-11-7-4-8-12-25)37(28)24-13-15-27(47)16-14-24/h3-17,19-20,22,29,31-32,36-37,47H,18,21H2,1-2H3/t29-,31+,32-,36-,37-,42-/m0/s1