sodium 3-(benzotriazol-2-yl)-5-tert-butyl-2-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-(benzotriazol-2-yl)-5-tert-butyl-2-oxidanyl-benzenesulfonate Openeye Name: sodium 3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxy-benzenesulfonate CAS Name: sodium 3-(2-benzotriazolyl)-5-tert-butyl-2-hydroxybenzenesulfonate IUPAC Name: sodium 3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxybenzenesulfonate Traditional Name: sodium 3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxy-besylate Formula: C16H16N3NaO4S MolecularWeight: 369.37071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)[O-])O)N2N=C3C=CC=CC3=N2.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)[O-])O)N2N=C3C=CC=CC3=N2.[Na+]

InChI

InChI=1S/C16H17N3O4S.Na/c1-16(2,3)10-8-13(15(20)14(9-10)24(21,22)23)19-17-11-6-4-5-7-12(11)18-19;/h4-9,20H,1-3H3,(H,21,22,23);/q;+1/p-1