methyl 2,2-bis(fluoranyl)-6-sulfanyl-hexanoate

Systemtic Name: methyl 2,2-bis(fluoranyl)-6-sulfanyl-hexanoate Openeye Name: methyl 2,2-difluoro-6-sulfanyl-hexanoate CAS Name: 2,2-difluoro-6-mercaptohexanoic acid methyl ester IUPAC Name: methyl 2,2-difluoro-6-sulfanylhexanoate Traditional Name: 2,2-difluoro-6-mercapto-hexanoic acid methyl ester Formula: C7H12F2O2S MolecularWeight: 198.230786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCS)(F)F

Isomeric SMILES

COC(=O)C(CCCCS)(F)F

InChI

InChI=1S/C7H12F2O2S/c1-11-6(10)7(8,9)4-2-3-5-12/h12H,2-5H2,1H3