2-(2-methylprop-2-enylsulfanyl)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-(2-methylprop-2-enylsulfanyl)-5-(trifluoromethyl)benzoic acid Openeye Name: 2-(2-methylallylsulfanyl)-5-(trifluoromethyl)benzoic acid CAS Name: 2-(2-methylprop-2-enylthio)-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-(2-methylprop-2-enylsulfanyl)-5-(trifluoromethyl)benzoic acid Traditional Name: 2-(2-methylallylthio)-5-(trifluoromethyl)benzoic acid Formula: C12H11F3O2S MolecularWeight: 276.27475

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(=C)CSC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H11F3O2S/c1-7(2)6-18-10-4-3-8(12(13,14)15)5-9(10)11(16)17/h3-5H,1,6H2,2H3,(H,16,17)