azanium 2-[3-(4-methoxy-3-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]benzoate

Systemtic Name: azanium 2-[3-(4-methoxy-3-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]benzoate Openeye Name: ammonium 2-[3-(3-hydroxy-4-methoxy-phenyl)-3-oxo-propanoyl]benzoate CAS Name: ammonium 2-[3-(3-hydroxy-4-methoxyphenyl)-1,3-dioxopropyl]benzoate IUPAC Name: azanium 2-[3-(3-hydroxy-4-methoxyphenyl)-3-oxopropanoyl]benzoate Traditional Name: ammonium 2-[3-(3-hydroxy-4-methoxy-phenyl)-3-keto-propanoyl]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=C2C(=O)[O-])O.[NH4+]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2C(=O)[O-])O.[NH4+]

InChI

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