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

Systemtic Name: ethyl 2,2-bis(fluoranyl)-3-(phenylsulfinyl)octanoate Openeye Name: ethyl 3-(benzenesulfinyl)-2,2-difluoro-octanoate CAS Name: 3-(benzenesulfinyl)-2,2-difluorooctanoic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfinyl)-2,2-difluorooctanoate Traditional Name: 3-(benzenesulfinyl)-2,2-difluoro-caprylic acid ethyl ester Formula: C16H22F2O3S MolecularWeight: 332.405886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F2O3S/c1-3-5-7-12-14(16(17,18)15(19)21-4-2)22(20)13-10-8-6-9-11-13/h6,8-11,14H,3-5,7,12H2,1-2H3