3-[(Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-4-oxidanyl-4-oxidanylidene-but-2-enyl]benzoic acid

Systemtic Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-4-oxidanyl-4-oxidanylidene-but-2-enyl]benzoic acid Openeye Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(4-methoxybenzoyl)-4-oxo-but-2-enyl]benzoic acid CAS Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-2-[(4-methoxyphenyl)-oxomethyl]-4-oxobut-2-enyl]benzoic acid IUPAC Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(4-methoxybenzoyl)-4-oxobut-2-enyl]benzoic acid Traditional Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-4-keto-2-p-anisoyl-but-2-enyl]benzoic acid Formula: C26H20O8 MolecularWeight: 460.4322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)O)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)O)/CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H20O8/c1-32-19-8-5-16(6-9-19)24(27)20(12-15-3-2-4-18(11-15)25(28)29)23(26(30)31)17-7-10-21-22(13-17)34-14-33-21/h2-11,13H,12,14H2,1H3,(H,28,29)(H,30,31)/b23-20-