azanium 4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate

Systemtic Name: azanium 4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate Openeye Name: ammonium 2,3-dibenzoyloxy-4-hydroxy-4-oxo-butanoate CAS Name: ammonium 2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate IUPAC Name: azanium 2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate Traditional Name: ammonium 2,3-dibenzoyloxy-4-hydroxy-4-keto-butyrate Formula: C18H17NO8 MolecularWeight: 375.32948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O.[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O.[NH4+]

InChI

InChI=1S/C18H14O8.H3N/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H3