4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethyl]-2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethyl]-2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-acetyl-4-[2-(3,4-difluorophenyl)sulfanylethyl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-acetyl-4-[2-[(3,4-difluorophenyl)thio]ethyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-acetyl-4-[2-(3,4-difluorophenyl)sulfanylethyl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-acetyl-4-[2-[(3,4-difluorophenyl)thio]ethyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C16H16F2O3S MolecularWeight: 326.358246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(CCC1=O)CCSC2=CC(=C(C=C2)F)F)O

Isomeric SMILES

CC(=O)C1=C(C(CCC1=O)CCSC2=CC(=C(C=C2)F)F)O

InChI

InChI=1S/C16H16F2O3S/c1-9(19)15-14(20)5-2-10(16(15)21)6-7-22-11-3-4-12(17)13(18)8-11/h3-4,8,10,21H,2,5-7H2,1H3