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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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