2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxo-butanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4-keto-butyric acid Formula: C19H18O7 MolecularWeight: 358.34202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C(=O)O)OC

InChI

InChI=1S/C19H18O7/c1-23-15-5-4-12(8-17(15)24-2)14(20)9-13(19(21)22)11-3-6-16-18(7-11)26-10-25-16/h3-8,13H,9-10H2,1-2H3,(H,21,22)