2-(4-oxidanylidene-1H-1,2,3-benzotriazin-3-ium-3-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(4-oxidanylidene-1H-1,2,3-benzotriazin-3-ium-3-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(4-oxo-1H-1,2,3-benzotriazin-3-ium-3-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(4-oxo-1H-1,2,3-benzotriazin-3-ium-3-yl)ethyl ester IUPAC Name: 2-(4-oxo-1H-1,2,3-benzotriazin-3-ium-3-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-keto-1H-1,2,3-benzotriazin-3-ium-3-yl)ethyl ester Formula: C16H16N3O4S+ MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=NNC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=NNC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H15N3O4S/c1-12-6-8-13(9-7-12)24(21,22)23-11-10-19-16(20)14-4-2-3-5-15(14)17-18-19/h2-9H,10-11H2,1H3/p+1