sodium 3-(4-carboxyphenyl)-2-oxidanylidene-butanoate

Systemtic Name: sodium 3-(4-carboxyphenyl)-2-oxidanylidene-butanoate Openeye Name: sodium 3-(4-carboxyphenyl)-2-oxo-butanoate CAS Name: sodium 3-(4-carboxyphenyl)-2-oxobutanoate IUPAC Name: sodium 3-(4-carboxyphenyl)-2-oxobutanoate Traditional Name: sodium 3-(4-carboxyphenyl)-2-keto-butyrate Formula: C11H9NaO5 MolecularWeight: 244.17593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)C(=O)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)C(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H10O5.Na/c1-6(9(12)11(15)16)7-2-4-8(5-3-7)10(13)14;/h2-6H,1H3,(H,13,14)(H,15,16);/q;+1/p-1