3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoranyl-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-fluoranyl-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-(3-fluoro-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]benzoic acid CAS Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoro-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]benzoic acid IUPAC Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoro-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]benzoic acid Traditional Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(3-fluoro-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]benzoic acid Formula: C41H30FNO7 MolecularWeight: 667.677803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CC3C(=O)C(=CC(=O)C3(C2C4=CC(=C(C=C4)O)F)C5=CC=CC=C5)C6=CC=CC=C6)C7C1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O

Isomeric SMILES

C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC(=C(C=C4)O)F)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O

InChI

InChI=1S/C41H30FNO7/c42-32-19-23(14-17-33(32)44)36-27-15-16-28-35(39(48)43(38(28)47)26-13-7-10-24(18-26)40(49)50)30(27)20-31-37(46)29(22-8-3-1-4-9-22)21-34(45)41(31,36)25-11-5-2-6-12-25/h1-15,17-19,21,28,30-31,35-36,44H,16,20H2,(H,49,50)/t28-,30+,31-,35-,36-,41-/m0/s1