ethyl 2,2-bis(fluoranyl)-3-phenylsulfanyl-octanoate

Systemtic Name: ethyl 2,2-bis(fluoranyl)-3-phenylsulfanyl-octanoate Openeye Name: ethyl 2,2-difluoro-3-phenylsulfanyl-octanoate CAS Name: 2,2-difluoro-3-(phenylthio)octanoic acid ethyl ester IUPAC Name: ethyl 2,2-difluoro-3-phenylsulfanyloctanoate Traditional Name: 2,2-difluoro-3-(phenylthio)caprylic acid ethyl ester Formula: C16H22F2O2S MolecularWeight: 316.406486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)OCC)(F)F)SC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C(C(=O)OCC)(F)F)SC1=CC=CC=C1

InChI

InChI=1S/C16H22F2O2S/c1-3-5-7-12-14(16(17,18)15(19)20-4-2)21-13-10-8-6-9-11-13/h6,8-11,14H,3-5,7,12H2,1-2H3