benzotriazol-1-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: benzotriazol-1-ylmethyl 4-methylbenzenesulfonate Openeye Name: benzotriazol-1-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-benzotriazolylmethyl ester IUPAC Name: benzotriazol-1-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid benzotriazol-1-ylmethyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H13N3O3S/c1-11-6-8-12(9-7-11)21(18,19)20-10-17-14-5-3-2-4-13(14)15-16-17/h2-9H,10H2,1H3