sodium 3-(benzotriazol-2-yl)-5-butan-2-yl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-(benzotriazol-2-yl)-5-butan-2-yl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 3-(benzotriazol-2-yl)-4-hydroxy-5-sec-butyl-benzenesulfonate CAS Name: sodium 3-(2-benzotriazolyl)-5-butan-2-yl-4-hydroxybenzenesulfonate IUPAC Name: sodium 3-(benzotriazol-2-yl)-5-butan-2-yl-4-hydroxybenzenesulfonate Traditional Name: sodium 3-(benzotriazol-2-yl)-4-hydroxy-5-sec-butyl-besylate Formula: C16H16N3NaO4S MolecularWeight: 369.37071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H17N3O4S.Na/c1-3-10(2)12-8-11(24(21,22)23)9-15(16(12)20)19-17-13-6-4-5-7-14(13)18-19;/h4-10,20H,3H2,1-2H3,(H,21,22,23);/q;+1/p-1