2-[2-[3,5-bis(trifluoromethyl)phenyl]sulfanylcyclohexyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]sulfanylcyclohexyl]sulfanylethanoic acid Openeye Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]sulfanylcyclohexyl]sulfanylacetic acid CAS Name: 2-[[2-[[3,5-bis(trifluoromethyl)phenyl]thio]cyclohexyl]thio]acetic acid IUPAC Name: 2-[2-[3,5-bis(trifluoromethyl)phenyl]sulfanylcyclohexyl]sulfanylacetic acid Traditional Name: 2-[[2-[[3,5-bis(trifluoromethyl)phenyl]thio]cyclohexyl]thio]acetic acid Formula: C16H16F6O2S2 MolecularWeight: 418.417459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)SCC(=O)O)SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCC(C(C1)SCC(=O)O)SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H16F6O2S2/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)26-13-4-2-1-3-12(13)25-8-14(23)24/h5-7,12-13H,1-4,8H2,(H,23,24)