3-azanyl-5-chloranyl-2-oxidanyl-benzenesulfonic acid; 3-azanyl-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-5-chloranyl-2-oxidanyl-benzenesulfonic acid; 3-azanyl-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-amino-5-chloro-2-hydroxy-benzenesulfonic acid; 3-amino-4-hydroxy-benzenesulfonic acid CAS Name: 3-amino-5-chloro-2-hydroxybenzenesulfonic acid; 3-amino-4-hydroxybenzenesulfonic acid IUPAC Name: 3-amino-5-chloro-2-hydroxybenzenesulfonic acid; 3-amino-4-hydroxybenzenesulfonic acid Traditional Name: 3-amino-5-chloro-2-hydroxy-besylic acid; 3-amino-4-hydroxy-besylic acid Formula: C12H13ClN2O8S2 MolecularWeight: 412.82322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)N)O.C1=C(C=C(C(=C1S(=O)(=O)O)O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)N)O.C1=C(C=C(C(=C1S(=O)(=O)O)O)N)Cl

InChI

InChI=1S/C6H6ClNO4S.C6H7NO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;7-5-3-4(12(9,10)11)1-2-6(5)8/h1-2,9H,8H2,(H,10,11,12);1-3,8H,7H2,(H,9,10,11)