(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-2-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C36H30ClNO5 MolecularWeight: 592.0801

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=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

CCN1C(=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/C36H30ClNO5/c1-2-38-34(42)25-16-15-23-27(31(25)35(38)43)18-28-33(41)26(20-9-5-3-6-10-20)19-30(40)36(28,21-11-7-4-8-12-21)32(23)24-14-13-22(39)17-29(24)37/h3-15,17,19,25,27-28,31-32,39H,2,16,18H2,1H3/t25-,27+,28-,31-,32+,36-/m0/s1