sodium 3-azanyl-5-chloranyl-2-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-azanyl-5-chloranyl-2-oxidanyl-benzenesulfonate Openeye Name: sodium 3-amino-5-chloro-2-hydroxy-benzenesulfonate CAS Name: sodium 3-amino-5-chloro-2-hydroxybenzenesulfonate IUPAC Name: sodium 3-amino-5-chloro-2-hydroxybenzenesulfonate Traditional Name: sodium 3-amino-5-chloro-2-hydroxy-besylate Formula: C6H5ClNNaO4S MolecularWeight: 245.61597

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)N)Cl.[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)N)Cl.[Na+]

InChI

InChI=1S/C6H6ClNO4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,8H2,(H,10,11,12);/q;+1/p-1