2-(6-methylbenzotriazol-1-yl)carbonylbenzenesulfonate

Systemtic Name: 2-(6-methylbenzotriazol-1-yl)carbonylbenzenesulfonate Openeye Name: 2-(6-methylbenzotriazole-1-carbonyl)benzenesulfonate CAS Name: 2-[(6-methyl-1-benzotriazolyl)-oxomethyl]benzenesulfonate IUPAC Name: 2-(6-methylbenzotriazole-1-carbonyl)benzenesulfonate Traditional Name: 2-(6-methylbenzotriazole-1-carbonyl)besylate Formula: C14H10N3O4S- MolecularWeight: 316.3119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=NN2C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=NN2C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

InChI

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