2-(3,5-dimethyl-2-oxidanyl-phenyl)-5-ethyl-benzotriazole-4-sulfonic acid

Systemtic Name: 2-(3,5-dimethyl-2-oxidanyl-phenyl)-5-ethyl-benzotriazole-4-sulfonic acid Openeye Name: 5-ethyl-2-(2-hydroxy-3,5-dimethyl-phenyl)benzotriazole-4-sulfonic acid CAS Name: 5-ethyl-2-(2-hydroxy-3,5-dimethylphenyl)-4-benzotriazolesulfonic acid IUPAC Name: 5-ethyl-2-(2-hydroxy-3,5-dimethylphenyl)benzotriazole-4-sulfonic acid Traditional Name: 5-ethyl-2-(2-hydroxy-3,5-dimethyl-phenyl)benzotriazole-4-sulfonic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NN(N=C2C=C1)C3=CC(=CC(=C3O)C)C)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C2=NN(N=C2C=C1)C3=CC(=CC(=C3O)C)C)S(=O)(=O)O

InChI

InChI=1S/C16H17N3O4S/c1-4-11-5-6-12-14(16(11)24(21,22)23)18-19(17-12)13-8-9(2)7-10(3)15(13)20/h5-8,20H,4H2,1-3H3,(H,21,22,23)