azanium 3-methoxy-2-oxidanyl-6-(3-oxidanylidene-3-phenyl-propanoyl)benzoate

Systemtic Name: azanium 3-methoxy-2-oxidanyl-6-(3-oxidanylidene-3-phenyl-propanoyl)benzoate Openeye Name: ammonium 2-hydroxy-3-methoxy-6-(3-oxo-3-phenyl-propanoyl)benzoate CAS Name: ammonium 6-(1,3-dioxo-3-phenylpropyl)-2-hydroxy-3-methoxybenzoate IUPAC Name: azanium 2-hydroxy-3-methoxy-6-(3-oxo-3-phenylpropanoyl)benzoate Traditional Name: ammonium 2-hydroxy-6-(3-keto-3-phenyl-propanoyl)-3-methoxy-benzoate Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2)C(=O)[O-])O.[NH4+]

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2)C(=O)[O-])O.[NH4+]

InChI

InChI=1S/C17H14O6.H3N/c1-23-14-8-7-11(15(16(14)20)17(21)22)13(19)9-12(18)10-5-3-2-4-6-10;/h2-8,20H,9H2,1H3,(H,21,22);1H3