S-[4-(4-nonylcyclohexyl)phenyl] 4-[bis(fluoranyl)methyl]benzenecarbothioate

Systemtic Name: S-[4-(4-nonylcyclohexyl)phenyl] 4-[bis(fluoranyl)methyl]benzenecarbothioate Openeye Name: S-[4-(4-nonylcyclohexyl)phenyl] 4-(difluoromethyl)benzenecarbothioate CAS Name: 4-(difluoromethyl)benzenecarbothioic acid S-[4-(4-nonylcyclohexyl)phenyl] ester IUPAC Name: S-[4-(4-nonylcyclohexyl)phenyl] 4-(difluoromethyl)benzenecarbothioate Traditional Name: 4-(difluoromethyl)thiobenzoic acid S-[4-(4-nonylcyclohexyl)phenyl] ester Formula: C29H38F2OS MolecularWeight: 472.673226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)SC(=O)C3=CC=C(C=C3)C(F)F

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)SC(=O)C3=CC=C(C=C3)C(F)F

InChI

InChI=1S/C29H38F2OS/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)24-18-20-27(21-19-24)33-29(32)26-16-14-25(15-17-26)28(30)31/h14-23,28H,2-13H2,1H3