3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromanyl-2-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]propanoic acid

Systemtic Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromanyl-2-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]propanoic acid Openeye Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-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]propanoic acid CAS Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]propanoic acid IUPAC Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]propanoic acid Traditional Name: 3-[(3aS,6R,6aS,10aR,11aS,11bR)-6-(5-bromo-2-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]propionic acid Formula: C37H30BrNO7 MolecularWeight: 680.5406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H30BrNO7/c38-22-11-14-29(40)27(17-22)33-23-12-13-24-32(36(46)39(35(24)45)16-15-31(42)43)26(23)18-28-34(44)25(20-7-3-1-4-8-20)19-30(41)37(28,33)21-9-5-2-6-10-21/h1-12,14,17,19,24,26,28,32-33,40H,13,15-16,18H2,(H,42,43)/t24-,26+,28-,32-,33+,37-/m0/s1