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

Systemtic Name: S-[4-(4-heptylcyclohexyl)phenyl] 4-[bis(fluoranyl)methyl]benzenecarbothioate Openeye Name: S-[4-(4-heptylcyclohexyl)phenyl] 4-(difluoromethyl)benzenecarbothioate CAS Name: 4-(difluoromethyl)benzenecarbothioic acid S-[4-(4-heptylcyclohexyl)phenyl] ester IUPAC Name: S-[4-(4-heptylcyclohexyl)phenyl] 4-(difluoromethyl)benzenecarbothioate Traditional Name: 4-(difluoromethyl)thiobenzoic acid S-[4-(4-heptylcyclohexyl)phenyl] ester Formula: C27H34F2OS MolecularWeight: 444.620066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)SC(=O)C3=CC=C(C=C3)C(F)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)SC(=O)C3=CC=C(C=C3)C(F)F

InChI

InChI=1S/C27H34F2OS/c1-2-3-4-5-6-7-20-8-10-21(11-9-20)22-16-18-25(19-17-22)31-27(30)24-14-12-23(13-15-24)26(28)29/h12-21,26H,2-11H2,1H3