3-[(2E,4E)-1-oxidanyl-1-oxidanylidene-7-phenyl-hepta-2,4-dien-4-yl]benzoic acid

Systemtic Name: 3-[(2E,4E)-1-oxidanyl-1-oxidanylidene-7-phenyl-hepta-2,4-dien-4-yl]benzoic acid Openeye Name: 3-[(E)-1-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-4-phenyl-but-1-enyl]benzoic acid CAS Name: 3-[(2E,4E)-1-hydroxy-1-oxo-7-phenylhepta-2,4-dien-4-yl]benzoic acid IUPAC Name: 3-[(2E,4E)-1-hydroxy-1-oxo-7-phenylhepta-2,4-dien-4-yl]benzoic acid Traditional Name: 3-[(E)-1-[(E)-3-hydroxy-3-keto-prop-1-enyl]-4-phenyl-but-1-enyl]benzoic acid Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC=C(C=CC(=O)O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC/C=C(\C=C\C(=O)O)/C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C20H18O4/c21-19(22)13-12-16(9-4-8-15-6-2-1-3-7-15)17-10-5-11-18(14-17)20(23)24/h1-3,5-7,9-14H,4,8H2,(H,21,22)(H,23,24)/b13-12+,16-9+