isothiocyanato-[4-(trifluoromethyloxy)phenyl]methanone

Systemtic Name: isothiocyanato-[4-(trifluoromethyloxy)phenyl]methanone Openeye Name: 4-(trifluoromethoxy)benzoyl isothiocyanate CAS Name: isothiocyanato-[4-(trifluoromethoxy)phenyl]methanone IUPAC Name: 4-(trifluoromethoxy)benzoyl isothiocyanate Traditional Name: isothiocyanato-[4-(trifluoromethoxy)phenyl]methanone Formula: C9H4F3NO2S MolecularWeight: 247.19377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N=C=S)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)N=C=S)OC(F)(F)F

InChI

InChI=1S/C9H4F3NO2S/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)13-5-16/h1-4H