sodium 3-azanyl-4-chloranyl-benzenesulfonate

Systemtic Name: sodium 3-azanyl-4-chloranyl-benzenesulfonate Openeye Name: sodium 3-amino-4-chloro-benzenesulfonate CAS Name: sodium 3-amino-4-chlorobenzenesulfonate IUPAC Name: sodium 3-amino-4-chlorobenzenesulfonate Traditional Name: sodium 3-amino-4-chloro-besylate Formula: C6H5ClNNaO3S MolecularWeight: 229.61657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6ClNO3S.Na/c7-5-2-1-4(3-6(5)8)12(9,10)11;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1