sodium 2-(5-tert-butyl-2-oxidanyl-3-propan-2-yl-phenyl)benzotriazole-5-sulfonate

Systemtic Name: sodium 2-(5-tert-butyl-2-oxidanyl-3-propan-2-yl-phenyl)benzotriazole-5-sulfonate Openeye Name: sodium 2-(5-tert-butyl-2-hydroxy-3-isopropyl-phenyl)benzotriazole-5-sulfonate CAS Name: sodium 2-(5-tert-butyl-2-hydroxy-3-propan-2-ylphenyl)-5-benzotriazolesulfonate IUPAC Name: sodium 2-(5-tert-butyl-2-hydroxy-3-propan-2-ylphenyl)benzotriazole-5-sulfonate Traditional Name: sodium 2-(5-tert-butyl-2-hydroxy-3-isopropyl-phenyl)benzotriazole-5-sulfonate Formula: C19H22N3NaO4S MolecularWeight: 411.45045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S.Na/c1-11(2)14-8-12(19(3,4)5)9-17(18(14)23)22-20-15-7-6-13(27(24,25)26)10-16(15)21-22;/h6-11,23H,1-5H3,(H,24,25,26);/q;+1/p-1