6-[2,5-bis(fluoranyl)phenyl]sulfanylhexan-2-one

Systemtic Name: 6-[2,5-bis(fluoranyl)phenyl]sulfanylhexan-2-one Openeye Name: 6-(2,5-difluorophenyl)sulfanylhexan-2-one CAS Name: 6-[(2,5-difluorophenyl)thio]-2-hexanone IUPAC Name: 6-(2,5-difluorophenyl)sulfanylhexan-2-one Traditional Name: 6-[(2,5-difluorophenyl)thio]hexan-2-one Formula: C12H14F2OS MolecularWeight: 244.300766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCSC1=C(C=CC(=C1)F)F

Isomeric SMILES

CC(=O)CCCCSC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C12H14F2OS/c1-9(15)4-2-3-7-16-12-8-10(13)5-6-11(12)14/h5-6,8H,2-4,7H2,1H3