2-(benzotriazol-1-ylcarbonyl)benzenesulfonate; N,N-diethylethanamine

Systemtic Name: 2-(benzotriazol-1-ylcarbonyl)benzenesulfonate; N,N-diethylethanamine Openeye Name: 2-(benzotriazole-1-carbonyl)benzenesulfonate; N,N-diethylethanamine CAS Name: 2-[1-benzotriazolyl(oxo)methyl]benzenesulfonate; N,N-diethylethanamine IUPAC Name: 2-(benzotriazole-1-carbonyl)benzenesulfonate; N,N-diethylethanamine Traditional Name: 2-(benzotriazole-1-carbonyl)besylate; triethylamine Formula: C19H23N4O4S- MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=N2)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=N2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H9N3O4S.C6H15N/c17-13(9-5-1-4-8-12(9)21(18,19)20)16-11-7-3-2-6-10(11)14-15-16;1-4-7(5-2)6-3/h1-8H,(H,18,19,20);4-6H2,1-3H3/p-1