3-[4-(trifluoromethyl)phenyl]propanethioic S-acid

Systemtic Name: 3-[4-(trifluoromethyl)phenyl]propanethioic S-acid Openeye Name: 3-[4-(trifluoromethyl)phenyl]propanethioic S-acid CAS Name: 3-[4-(trifluoromethyl)phenyl]propanethioic S-acid IUPAC Name: 3-[4-(trifluoromethyl)phenyl]propanethioic S-acid Traditional Name: 3-[4-(trifluoromethyl)phenyl]thiopropionic acid Formula: C10H9F3OS MolecularWeight: 234.23807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)S)C(F)(F)F

InChI

InChI=1S/C10H9F3OS/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)