5-[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(E)-4-methoxy-4-oxo-but-2-enoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(E)-4-methoxy-1,4-dioxobut-2-enyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(E)-4-methoxy-4-oxobut-2-enoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(E)-4-keto-4-methoxy-but-2-enoyl]isophthalic acid Formula: C13H10O7 MolecularWeight: 278.2143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)/C=C/C(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H10O7/c1-20-11(15)3-2-10(14)7-4-8(12(16)17)6-9(5-7)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)/b3-2+