2-(5-methyl-2-oxidanyl-phenyl)benzotriazole-5-sulfonic acid

Systemtic Name: 2-(5-methyl-2-oxidanyl-phenyl)benzotriazole-5-sulfonic acid Openeye Name: 2-(2-hydroxy-5-methyl-phenyl)benzotriazole-5-sulfonic acid CAS Name: 2-(2-hydroxy-5-methylphenyl)-5-benzotriazolesulfonic acid IUPAC Name: 2-(2-hydroxy-5-methylphenyl)benzotriazole-5-sulfonic acid Traditional Name: 2-(2-hydroxy-5-methyl-phenyl)benzotriazole-5-sulfonic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4S/c1-8-2-5-13(17)12(6-8)16-14-10-4-3-9(21(18,19)20)7-11(10)15-16/h2-7,17H,1H3,(H,18,19,20)