sodium 3-(benzotriazol-1-yl)-2-butyl-6-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-(benzotriazol-1-yl)-2-butyl-6-oxidanyl-benzenesulfonate Openeye Name: sodium 3-(benzotriazol-1-yl)-2-butyl-6-hydroxy-benzenesulfonate CAS Name: sodium 3-(1-benzotriazolyl)-2-butyl-6-hydroxybenzenesulfonate IUPAC Name: sodium 3-(benzotriazol-1-yl)-2-butyl-6-hydroxybenzenesulfonate Traditional Name: sodium 3-(benzotriazol-1-yl)-2-butyl-6-hydroxy-besylate Formula: C16H16N3NaO4S MolecularWeight: 369.37071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1S(=O)(=O)[O-])O)N2C3=CC=CC=C3N=N2.[Na+]

Isomeric SMILES

CCCCC1=C(C=CC(=C1S(=O)(=O)[O-])O)N2C3=CC=CC=C3N=N2.[Na+]

InChI

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