[5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] 4-methylbenzenesulfonate Openeye Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester IUPAC Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester Formula: C11H9F6N3O3S MolecularWeight: 377.262879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CN=N2)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CN=N2)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H9F6N3O3S/c1-7-2-4-8(5-3-7)24(21,22)23-20-9(6-18-19-20,10(12,13)14)11(15,16)17/h2-5H,6H2,1H3