4-[(3-ethenyl-2-oxidanylidene-1,3-diphenyl-cyclohexyl)methyl]benzoic acid

Systemtic Name: 4-[(3-ethenyl-2-oxidanylidene-1,3-diphenyl-cyclohexyl)methyl]benzoic acid Openeye Name: 4-[(2-oxo-1,3-diphenyl-3-vinyl-cyclohexyl)methyl]benzoic acid CAS Name: 4-[(3-ethenyl-2-oxo-1,3-diphenylcyclohexyl)methyl]benzoic acid IUPAC Name: 4-[(3-ethenyl-2-oxo-1,3-diphenylcyclohexyl)methyl]benzoic acid Traditional Name: 4-[(2-keto-1,3-diphenyl-3-vinyl-cyclohexyl)methyl]benzoic acid Formula: C28H26O3 MolecularWeight: 410.50424

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1(CCCC(C1=O)(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CC1(CCCC(C1=O)(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26O3/c1-2-27(23-10-5-3-6-11-23)18-9-19-28(26(27)31,24-12-7-4-8-13-24)20-21-14-16-22(17-15-21)25(29)30/h2-8,10-17H,1,9,18-20H2,(H,29,30)