2-(5-methylbenzotriazol-1-yl)carbonylbenzenesulfonic acid

Systemtic Name: 2-(5-methylbenzotriazol-1-yl)carbonylbenzenesulfonic acid Openeye Name: 2-(5-methylbenzotriazole-1-carbonyl)benzenesulfonic acid CAS Name: 2-[(5-methyl-1-benzotriazolyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(5-methylbenzotriazole-1-carbonyl)benzenesulfonic acid Traditional Name: 2-(5-methylbenzotriazole-1-carbonyl)besylic acid Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C14H11N3O4S/c1-9-6-7-12-11(8-9)15-16-17(12)14(18)10-4-2-3-5-13(10)22(19,20)21/h2-8H,1H3,(H,19,20,21)