4-methyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-benzoic acid

Systemtic Name: 4-methyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-benzoic acid Openeye Name: 4-methyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-benzoic acid CAS Name: 4-methyl-3-[[4-(trifluoromethyl)phenyl]thio]benzoic acid IUPAC Name: 4-methyl-3-[4-(trifluoromethyl)phenyl]sulfanylbenzoic acid Traditional Name: 4-methyl-3-[[4-(trifluoromethyl)phenyl]thio]benzoic acid Formula: C15H11F3O2S MolecularWeight: 312.30685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)SC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)SC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H11F3O2S/c1-9-2-3-10(14(19)20)8-13(9)21-12-6-4-11(5-7-12)15(16,17)18/h2-8H,1H3,(H,19,20)