5-[2-(4-fluorophenyl)sulfanylethyl]-2-propanoyl-cyclohexane-1,3-dione

Systemtic Name: 5-[2-(4-fluorophenyl)sulfanylethyl]-2-propanoyl-cyclohexane-1,3-dione Openeye Name: 5-[2-(4-fluorophenyl)sulfanylethyl]-2-propanoyl-cyclohexane-1,3-dione CAS Name: 5-[2-[(4-fluorophenyl)thio]ethyl]-2-(1-oxopropyl)cyclohexane-1,3-dione IUPAC Name: 5-[2-(4-fluorophenyl)sulfanylethyl]-2-propanoylcyclohexane-1,3-dione Traditional Name: 5-[2-[(4-fluorophenyl)thio]ethyl]-2-propionyl-cyclohexane-1,3-quinone Formula: C17H19FO3S MolecularWeight: 322.394363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FO3S/c1-2-14(19)17-15(20)9-11(10-16(17)21)7-8-22-13-5-3-12(18)4-6-13/h3-6,11,17H,2,7-10H2,1H3