3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3,5-dimethyl-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]benzoic acid

Systemtic Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3,5-dimethyl-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]benzoic acid Openeye Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-3,5-dimethyl-phenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]benzoic acid CAS Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-3,5-dimethylphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]benzoic acid IUPAC Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-3,5-dimethylphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]benzoic acid Traditional Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-3,5-dimethyl-phenyl)-1,3,7,10-tetraketo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[2,3-e]isoindol-2-yl]benzoic acid Formula: C43H35NO7 MolecularWeight: 677.7405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC(=C8)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC(=C8)C(=O)O

InChI

InChI=1S/C43H35NO7/c1-23-18-27(19-24(2)38(23)46)37-30-16-17-31-36(41(49)44(40(31)48)29-15-9-12-26(20-29)42(50)51)33(30)21-34-39(47)32(25-10-5-3-6-11-25)22-35(45)43(34,37)28-13-7-4-8-14-28/h3-16,18-20,22,31,33-34,36-37,46H,17,21H2,1-2H3,(H,50,51)/t31-,33+,34-,36-,37-,43-/m0/s1