methyl 2-sulfanyl-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-sulfanyl-5-(trifluoromethyl)benzoate Openeye Name: methyl 2-sulfanyl-5-(trifluoromethyl)benzoate CAS Name: 2-mercapto-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-sulfanyl-5-(trifluoromethyl)benzoate Traditional Name: 2-mercapto-5-(trifluoromethyl)benzoic acid methyl ester Formula: C9H7F3O2S MolecularWeight: 236.21089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7F3O2S/c1-14-8(13)6-4-5(9(10,11)12)2-3-7(6)15/h2-4,15H,1H3