sodium 4-(2-oxidanidyl-5-oxidanylidene-pyrrol-3-yl)benzenesulfonate

Systemtic Name: sodium 4-(2-oxidanidyl-5-oxidanylidene-pyrrol-3-yl)benzenesulfonate Openeye Name: sodium 4-(2-oxido-5-oxo-pyrrol-3-yl)benzenesulfonate CAS Name: sodium 4-(2-oxido-5-oxo-3-pyrrolyl)benzenesulfonate IUPAC Name: sodium 4-(2-oxido-5-oxopyrrol-3-yl)benzenesulfonate Traditional Name: sodium 4-(5-keto-2-oxido-pyrrol-3-yl)besylate Formula: C10H5NNaO5S- MolecularWeight: 274.20517

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)N=C2[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)N=C2[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H7NO5S.Na/c12-9-5-8(10(13)11-9)6-1-3-7(4-2-6)17(14,15)16;/h1-5H,(H,11,12,13)(H,14,15,16);/q;+1/p-2