3-[(4S,5S)-6-oxidanylidene-2,4-diphenyl-5-(phenylcarbonyl)cyclohexen-1-yl]propanoic acid

Systemtic Name: 3-[(4S,5S)-6-oxidanylidene-2,4-diphenyl-5-(phenylcarbonyl)cyclohexen-1-yl]propanoic acid Openeye Name: 3-[(4S,5S)-5-benzoyl-6-oxo-2,4-diphenyl-cyclohexen-1-yl]propanoic acid CAS Name: 3-[(4S,5S)-5-benzoyl-6-oxo-2,4-diphenyl-1-cyclohexenyl]propanoic acid IUPAC Name: 3-[(4S,5S)-5-benzoyl-6-oxo-2,4-diphenylcyclohexen-1-yl]propanoic acid Traditional Name: 3-[(4S,5S)-5-benzoyl-6-keto-2,4-diphenyl-cyclohexen-1-yl]propionic acid Formula: C28H24O4 MolecularWeight: 424.48776

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C(=C1C2=CC=CC=C2)CCC(=O)O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](C(=O)C(=C1C2=CC=CC=C2)CCC(=O)O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H24O4/c29-25(30)17-16-22-23(19-10-4-1-5-11-19)18-24(20-12-6-2-7-13-20)26(28(22)32)27(31)21-14-8-3-9-15-21/h1-15,24,26H,16-18H2,(H,29,30)/t24-,26+/m1/s1