2-(3,5-dimethyl-2-oxidanyl-phenyl)benzotriazole-4-sulfonate

Systemtic Name: 2-(3,5-dimethyl-2-oxidanyl-phenyl)benzotriazole-4-sulfonate Openeye Name: 2-(2-hydroxy-3,5-dimethyl-phenyl)benzotriazole-4-sulfonate CAS Name: 2-(2-hydroxy-3,5-dimethylphenyl)-4-benzotriazolesulfonate IUPAC Name: 2-(2-hydroxy-3,5-dimethylphenyl)benzotriazole-4-sulfonate Traditional Name: 2-(2-hydroxy-3,5-dimethyl-phenyl)benzotriazole-4-sulfonate Formula: C14H12N3O4S- MolecularWeight: 318.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC=C(C3=N2)S(=O)(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC=C(C3=N2)S(=O)(=O)[O-])O)C

InChI

InChI=1S/C14H13N3O4S/c1-8-6-9(2)14(18)11(7-8)17-15-10-4-3-5-12(13(10)16-17)22(19,20)21/h3-7,18H,1-2H3,(H,19,20,21)/p-1