6-[(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]isoindol-2-yl]hexanoic acid

Systemtic Name: 6-[(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]isoindol-2-yl]hexanoic acid Openeye Name: 6-[(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]isoindol-2-yl]hexanoic acid CAS Name: 6-[(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]isoindol-2-yl]hexanoic acid IUPAC Name: 6-[(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]isoindol-2-yl]hexanoic acid Traditional Name: 6-[(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]isoindol-2-yl]hexanoic acid Formula: C40H36ClNO7 MolecularWeight: 678.16934

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CC3C(=O)C(=CC(=O)C3(C2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC=CC=C6)C7C1C(=O)N(C7=O)CCCCCC(=O)O

Isomeric SMILES

C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CCCCCC(=O)O

InChI

InChI=1S/C40H36ClNO7/c41-32-20-25(43)15-16-27(32)36-26-17-18-28-35(39(49)42(38(28)48)19-9-3-8-14-34(45)46)30(26)21-31-37(47)29(23-10-4-1-5-11-23)22-33(44)40(31,36)24-12-6-2-7-13-24/h1-2,4-7,10-13,15-17,20,22,28,30-31,35-36,43H,3,8-9,14,18-19,21H2,(H,45,46)/t28-,30+,31-,35-,36+,40-/m0/s1