methyl (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindole-2-carboxylate

Systemtic Name: methyl (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindole-2-carboxylate Openeye Name: methyl (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxy-phenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindole-2-carboxylate CAS Name: (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindole-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindole-2-carboxylate Traditional Name: (3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxy-phenyl)-1,3,7,10-tetraketo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[2,3-e]isoindole-2-carboxylic acid methyl ester Formula: C36H28ClNO7 MolecularWeight: 622.06302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=O)C2CC=C3C(C2C1=O)CC4C(=O)C(=CC(=O)C4(C3C5=C(C=C(C=C5)O)Cl)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=C(C=C(C=C5)O)Cl)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C36H28ClNO7/c1-45-35(44)38-33(42)24-15-14-22-26(30(24)34(38)43)17-27-32(41)25(19-8-4-2-5-9-19)18-29(40)36(27,20-10-6-3-7-11-20)31(22)23-13-12-21(39)16-28(23)37/h2-14,16,18,24,26-27,30-31,39H,15,17H2,1H3/t24-,26+,27-,30-,31+,36-/m0/s1