3-azanyl-5-chloranyl-4-oxidanyl-benzenesulfonate

Systemtic Name: 3-azanyl-5-chloranyl-4-oxidanyl-benzenesulfonate Openeye Name: 3-amino-5-chloro-4-hydroxy-benzenesulfonate CAS Name: 3-amino-5-chloro-4-hydroxybenzenesulfonate IUPAC Name: 3-amino-5-chloro-4-hydroxybenzenesulfonate Traditional Name: 3-amino-5-chloro-4-hydroxy-besylate Formula: C6H5ClNO4S- MolecularWeight: 222.6262

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)N)S(=O)(=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)N)S(=O)(=O)[O-]

InChI

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