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

Systemtic Name: [5,5-bis(trifluoromethyl)-4H-1,2,3-triazol-1-yl] benzoate Openeye Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] benzoate CAS Name: benzoic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester IUPAC Name: [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] benzoate Traditional Name: benzoic acid [5,5-bis(trifluoromethyl)-4H-triazol-1-yl] ester Formula: C11H7F6N3O2 MolecularWeight: 327.182599

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=N1)OC(=O)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C(N(N=N1)OC(=O)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H7F6N3O2/c12-10(13,14)9(11(15,16)17)6-18-19-20(9)22-8(21)7-4-2-1-3-5-7/h1-5H,6H2