(3aS,6S,6aS,10aR,11aS,11bR)-2-tert-butyl-6-(2-chloranyl-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,6S,6aS,10aR,11aS,11bR)-2-tert-butyl-6-(2-chloranyl-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,6S,6aS,10aR,11aS,11bR)-2-tert-butyl-6-(2-chloro-4-hydroxy-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,6S,6aS,10aR,11aS,11bR)-2-tert-butyl-6-(2-chloro-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-tert-butyl-6-(2-chloro-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-tert-butyl-6-(2-chloro-4-hydroxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C38H34ClNO5 MolecularWeight: 620.13326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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

CC(C)(C)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/C38H34ClNO5/c1-37(2,3)40-35(44)26-17-16-24-28(32(26)36(40)45)19-29-34(43)27(21-10-6-4-7-11-21)20-31(42)38(29,22-12-8-5-9-13-22)33(24)25-15-14-23(41)18-30(25)39/h4-16,18,20,26,28-29,32-33,41H,17,19H2,1-3H3/t26-,28+,29-,32-,33+,38-/m0/s1