sodium 3-azanyl-5-carboxy-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-azanyl-5-carboxy-4-oxidanyl-benzenesulfonate Openeye Name: sodium 3-amino-5-carboxy-4-hydroxy-benzenesulfonate CAS Name: sodium 3-amino-5-carboxy-4-hydroxybenzenesulfonate IUPAC Name: sodium 3-amino-5-carboxy-4-hydroxybenzenesulfonate Traditional Name: sodium 3-amino-5-carboxy-4-hydroxy-besylate Formula: C7H6NNaO6S MolecularWeight: 255.18041

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1N)O)C(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1N)O)C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H7NO6S.Na/c8-5-2-3(15(12,13)14)1-4(6(5)9)7(10)11;/h1-2,9H,8H2,(H,10,11)(H,12,13,14);/q;+1/p-1