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

Systemtic Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-2-(4-methoxyphenyl)carbonyl-4-oxidanylidene-but-2-enyl]benzoic acid Openeye Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-2-(4-methoxybenzoyl)-4-oxo-but-2-enyl]benzoic acid CAS Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-2-[(4-methoxyphenyl)-oxomethyl]-4-oxobut-2-enyl]benzoic acid IUPAC Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-2-(4-methoxybenzoyl)-4-oxobut-2-enyl]benzoic acid Traditional Name: 3-[(Z)-3-(1,3-benzodioxol-5-yl)-4-keto-4-methoxy-2-p-anisoyl-but-2-enyl]benzoic acid Formula: C27H22O8 MolecularWeight: 474.45878

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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)OC)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)OC)/CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H22O8/c1-32-20-9-6-17(7-10-20)25(28)21(13-16-4-3-5-19(12-16)26(29)30)24(27(31)33-2)18-8-11-22-23(14-18)35-15-34-22/h3-12,14H,13,15H2,1-2H3,(H,29,30)/b24-21-