3-oxidanylidene-3-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-isopropylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-3-oxo-propanoic acid CAS Name: 3-oxo-3-[4-[(2-propan-2-ylphenyl)thio]-3-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-oxo-3-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-keto-3-[4-(o-cumenylthio)-3-(trifluoromethyl)phenyl]propionic acid Formula: C19H17F3O3S MolecularWeight: 382.39669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)CC(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C19H17F3O3S/c1-11(2)13-5-3-4-6-16(13)26-17-8-7-12(15(23)10-18(24)25)9-14(17)19(20,21)22/h3-9,11H,10H2,1-2H3,(H,24,25)