4-oxidanylidene-2-(trifluoromethyl)pentanethioic S-acid

Systemtic Name: 4-oxidanylidene-2-(trifluoromethyl)pentanethioic S-acid Openeye Name: 4-oxo-2-(trifluoromethyl)pentanethioic S-acid CAS Name: 4-oxo-2-(trifluoromethyl)pentanethioic S-acid IUPAC Name: 4-oxo-2-(trifluoromethyl)pentanethioic S-acid Traditional Name: 4-keto-2-(trifluoromethyl)thiovaleric acid Formula: C6H7F3O2S MolecularWeight: 200.17879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)S)C(F)(F)F

Isomeric SMILES

CC(=O)CC(C(=O)S)C(F)(F)F

InChI

InChI=1S/C6H7F3O2S/c1-3(10)2-4(5(11)12)6(7,8)9/h4H,2H2,1H3,(H,11,12)