3-[[(3-carboxylatophenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 3-[[(3-carboxylatophenyl)methylazaniumyl]methyl]benzoate Openeye Name: 3-[[(3-carboxylatophenyl)methylammonio]methyl]benzoate CAS Name: 3-[[(3-carboxylatophenyl)methylammonio]methyl]benzoate IUPAC Name: 3-[[(3-carboxylatophenyl)methylazaniumyl]methyl]benzoate Traditional Name: 3-[[(3-carboxylatobenzyl)ammonio]methyl]benzoate Formula: C16H14NO4- MolecularWeight: 284.28666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C[NH2+]CC2=CC=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C[NH2+]CC2=CC=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H15NO4/c18-15(19)13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(8-12)16(20)21/h1-8,17H,9-10H2,(H,18,19)(H,20,21)/p-1