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

Systemtic Name: 2-(5-ethylbenzotriazol-1-yl)carbonylbenzenesulfonic acid Openeye Name: 2-(5-ethylbenzotriazole-1-carbonyl)benzenesulfonic acid CAS Name: 2-[(5-ethyl-1-benzotriazolyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(5-ethylbenzotriazole-1-carbonyl)benzenesulfonic acid Traditional Name: 2-(5-ethylbenzotriazole-1-carbonyl)besylic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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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)