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

Systemtic Name: 2-prop-2-enylsulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-allylsulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-(prop-2-enylthio)-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-prop-2-enylsulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-(allylthio)-5-(trifluoromethyl)benzoic acid Formula: C11H9F3O2S MolecularWeight: 262.24817

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

C=CCSC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H9F3O2S/c1-2-5-17-9-4-3-7(11(12,13)14)6-8(9)10(15)16/h2-4,6H,1,5H2,(H,15,16)