benzotriazol-1-yl 4-methylbenzenesulfonate

Systemtic Name: benzotriazol-1-yl 4-methylbenzenesulfonate Openeye Name: benzotriazol-1-yl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid benzotriazol-1-yl ester Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H11N3O3S/c1-10-6-8-11(9-7-10)20(17,18)19-16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3