4-[1-(3,4-dicarboxyphenyl)carbonyloxypropoxy]-4-oxidanylidene-butanoate

Systemtic Name: 4-[1-(3,4-dicarboxyphenyl)carbonyloxypropoxy]-4-oxidanylidene-butanoate Openeye Name: 4-[1-(3,4-dicarboxybenzoyl)oxypropoxy]-4-oxo-butanoate CAS Name: 4-[1-[(3,4-dicarboxyphenyl)-oxomethoxy]propoxy]-4-oxobutanoate IUPAC Name: 4-[1-(3,4-dicarboxybenzoyl)oxypropoxy]-4-oxobutanoate Traditional Name: 4-[1-(3,4-dicarboxybenzoyl)oxypropoxy]-4-keto-butyrate Formula: C16H15O10- MolecularWeight: 367.2843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)CCC(=O)[O-])OC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(OC(=O)CCC(=O)[O-])OC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16O10/c1-2-13(25-12(19)6-5-11(17)18)26-16(24)8-3-4-9(14(20)21)10(7-8)15(22)23/h3-4,7,13H,2,5-6H2,1H3,(H,17,18)(H,20,21)(H,22,23)/p-1