S-(2-oxidanylbutyl) 2-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-(2-oxidanylbutyl) 2-(trifluoromethyl)benzenecarbothioate Openeye Name: S-(2-hydroxybutyl) 2-(trifluoromethyl)benzenecarbothioate CAS Name: 2-(trifluoromethyl)benzenecarbothioic acid S-(2-hydroxybutyl) ester IUPAC Name: S-(2-hydroxybutyl) 2-(trifluoromethyl)benzenecarbothioate Traditional Name: 2-(trifluoromethyl)thiobenzoic acid S-(2-hydroxybutyl) ester Formula: C12H13F3O2S MolecularWeight: 278.29063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(=O)C1=CC=CC=C1C(F)(F)F)O

Isomeric SMILES

CCC(CSC(=O)C1=CC=CC=C1C(F)(F)F)O

InChI

InChI=1S/C12H13F3O2S/c1-2-8(16)7-18-11(17)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,16H,2,7H2,1H3