3-bromanyl-4-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-benzoic acid

Systemtic Name: 3-bromanyl-4-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-benzoic acid Openeye Name: 3-bromo-4-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-benzoic acid CAS Name: 3-bromo-4-[[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thio]benzoic acid IUPAC Name: 3-bromo-4-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoic acid Traditional Name: 3-bromo-4-[[2-keto-2-[3-(trifluoromethyl)phenyl]ethyl]thio]benzoic acid Formula: C16H10BrF3O3S MolecularWeight: 419.21301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)CSC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)CSC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C16H10BrF3O3S/c17-12-7-10(15(22)23)4-5-14(12)24-8-13(21)9-2-1-3-11(6-9)16(18,19)20/h1-7H,8H2,(H,22,23)