4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid

Systemtic Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-prop-1-enyl)benzoic acid Openeye Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxo-prop-1-enyl)benzoic acid CAS Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)benzoic acid IUPAC Name: 4-(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)benzoic acid Traditional Name: 4-(2-carbomethoxy-3-keto-3-methoxy-prop-1-enyl)benzoic acid Formula: C13H12O6 MolecularWeight: 264.23078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)OC

InChI

InChI=1S/C13H12O6/c1-18-12(16)10(13(17)19-2)7-8-3-5-9(6-4-8)11(14)15/h3-7H,1-2H3,(H,14,15)