3-methyl-2-[4-(trifluoromethyloxy)phenyl]butanethioic S-acid

Systemtic Name: 3-methyl-2-[4-(trifluoromethyloxy)phenyl]butanethioic S-acid Openeye Name: 3-methyl-2-[4-(trifluoromethoxy)phenyl]butanethioic S-acid CAS Name: 3-methyl-2-[4-(trifluoromethoxy)phenyl]butanethioic S-acid IUPAC Name: 3-methyl-2-[4-(trifluoromethoxy)phenyl]butanethioic S-acid Traditional Name: 3-methyl-2-[4-(trifluoromethoxy)phenyl]thiobutyric acid Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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