4-[(4-nitrophenyl)carbonylamino]benzenesulfonic acid; sodium

Systemtic Name: 4-[(4-nitrophenyl)carbonylamino]benzenesulfonic acid; sodium Openeye Name: 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid; sodium CAS Name: 4-[[(4-nitrophenyl)-oxomethyl]amino]benzenesulfonic acid; sodium IUPAC Name: 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid; sodium Traditional Name: 4-[(4-nitrobenzoyl)amino]besylic acid; sodium Formula: C13H10N2NaO6S MolecularWeight: 345.28307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Na]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Na]

InChI

InChI=1S/C13H10N2O6S.Na/c16-13(9-1-5-11(6-2-9)15(17)18)14-10-3-7-12(8-4-10)22(19,20)21;/h1-8H,(H,14,16)(H,19,20,21);