trisodium 4-[phenyl(phosphonatomethyl)amino]benzoate

Systemtic Name: trisodium 4-[phenyl(phosphonatomethyl)amino]benzoate Openeye Name: trisodium 4-[N-(phosphonatomethyl)anilino]benzoate CAS Name: trisodium 4-[N-(phosphonatomethyl)anilino]benzoate IUPAC Name: trisodium 4-[N-(phosphonatomethyl)anilino]benzoate Traditional Name: trisodium 4-[N-(phosphonatomethyl)anilino]benzoate Formula: C14H11NNa3O5P MolecularWeight: 373.183911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CP(=O)([O-])[O-])C2=CC=C(C=C2)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N(CP(=O)([O-])[O-])C2=CC=C(C=C2)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H14NO5P.3Na/c16-14(17)11-6-8-13(9-7-11)15(10-21(18,19)20)12-4-2-1-3-5-12;;;/h1-9H,10H2,(H,16,17)(H2,18,19,20);;;/q;3*+1/p-3