2-(3,5-dimethyl-2-oxidanyl-phenyl)benzotriazole-5-sulfonic acid

Systemtic Name: 2-(3,5-dimethyl-2-oxidanyl-phenyl)benzotriazole-5-sulfonic acid Openeye Name: 2-(2-hydroxy-3,5-dimethyl-phenyl)benzotriazole-5-sulfonic acid CAS Name: 2-(2-hydroxy-3,5-dimethylphenyl)-5-benzotriazolesulfonic acid IUPAC Name: 2-(2-hydroxy-3,5-dimethylphenyl)benzotriazole-5-sulfonic acid Traditional Name: 2-(2-hydroxy-3,5-dimethyl-phenyl)benzotriazole-5-sulfonic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)S(=O)(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)S(=O)(=O)O)O)C

InChI

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