methyl 4-cyano-2,5-bis(trifluoromethyloxy)benzoate

Systemtic Name: methyl 4-cyano-2,5-bis(trifluoromethyloxy)benzoate Openeye Name: methyl 4-cyano-2,5-bis(trifluoromethoxy)benzoate CAS Name: 4-cyano-2,5-bis(trifluoromethoxy)benzoic acid methyl ester IUPAC Name: methyl 4-cyano-2,5-bis(trifluoromethoxy)benzoate Traditional Name: 4-cyano-2,5-bis(trifluoromethoxy)benzoic acid methyl ester Formula: C11H5F6NO4 MolecularWeight: 329.152119

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1)OC(F)(F)F)C#N)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1)OC(F)(F)F)C#N)OC(F)(F)F

InChI

InChI=1S/C11H5F6NO4/c1-20-9(19)6-3-7(21-10(12,13)14)5(4-18)2-8(6)22-11(15,16)17/h2-3H,1H3