3-[(1E,3E)-1-(4-decoxyphenyl)-5-oxidanyl-5-oxidanylidene-penta-1,3-dien-2-yl]benzoic acid

Systemtic Name: 3-[(1E,3E)-1-(4-decoxyphenyl)-5-oxidanyl-5-oxidanylidene-penta-1,3-dien-2-yl]benzoic acid Openeye Name: 3-[(E,1E)-1-[(4-decoxyphenyl)methylene]-4-hydroxy-4-oxo-but-2-enyl]benzoic acid CAS Name: 3-[(1E,3E)-1-(4-decoxyphenyl)-5-hydroxy-5-oxopenta-1,3-dien-2-yl]benzoic acid IUPAC Name: 3-[(1E,3E)-1-(4-decoxyphenyl)-5-hydroxy-5-oxopenta-1,3-dien-2-yl]benzoic acid Traditional Name: 3-[(E,1E)-1-(4-decoxybenzylidene)-4-hydroxy-4-keto-but-2-enyl]benzoic acid Formula: C28H34O5 MolecularWeight: 450.56656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C=C(C=CC(=O)O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C=C\C(=O)O)/C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C28H34O5/c1-2-3-4-5-6-7-8-9-19-33-26-16-13-22(14-17-26)20-24(15-18-27(29)30)23-11-10-12-25(21-23)28(31)32/h10-18,20-21H,2-9,19H2,1H3,(H,29,30)(H,31,32)/b18-15+,24-20+