2-(4-carbamimidoylphenyl)carbonyloxybenzoic acid; methanesulfonate

Systemtic Name: 2-(4-carbamimidoylphenyl)carbonyloxybenzoic acid; methanesulfonate Openeye Name: 2-(4-carbamimidoylbenzoyl)oxybenzoic acid; methanesulfonate CAS Name: 2-[(4-carbamimidoylphenyl)-oxomethoxy]benzoic acid; methanesulfonate IUPAC Name: 2-(4-carbamimidoylbenzoyl)oxybenzoic acid; methanesulfonate Traditional Name: 2-(4-amidinobenzoyl)oxybenzoic acid mesylate Formula: C16H15N2O7S- MolecularWeight: 379.3645

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C15H12N2O4.CH4O3S/c16-13(17)9-5-7-10(8-6-9)15(20)21-12-4-2-1-3-11(12)14(18)19;1-5(2,3)4/h1-8H,(H3,16,17)(H,18,19);1H3,(H,2,3,4)/p-1