2-(5-ethylbenzotriazol-1-yl)carbonylbenzenesulfonate

Systemtic Name: 2-(5-ethylbenzotriazol-1-yl)carbonylbenzenesulfonate Openeye Name: 2-(5-ethylbenzotriazole-1-carbonyl)benzenesulfonate CAS Name: 2-[(5-ethyl-1-benzotriazolyl)-oxomethyl]benzenesulfonate IUPAC Name: 2-(5-ethylbenzotriazole-1-carbonyl)benzenesulfonate Traditional Name: 2-(5-ethylbenzotriazole-1-carbonyl)besylate Formula: C15H12N3O4S- MolecularWeight: 330.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(N=N2)C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N(N=N2)C(=O)C3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-2-10-7-8-13-12(9-10)16-17-18(13)15(19)11-5-3-4-6-14(11)23(20,21)22/h3-9H,2H2,1H3,(H,20,21,22)/p-1