2-butanoyl-5-[2-(furan-2-yl)-1-methylsulfanyl-propyl]cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-[2-(furan-2-yl)-1-methylsulfanyl-propyl]cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-[2-(2-furyl)-1-methylsulfanyl-propyl]cyclohexane-1,3-dione CAS Name: 5-[2-(2-furanyl)-1-(methylthio)propyl]-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-[2-(furan-2-yl)-1-methylsulfanylpropyl]cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-[2-(2-furyl)-1-(methylthio)propyl]cyclohexane-1,3-quinone Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C(C(C)C2=CC=CO2)SC

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C(C(C)C2=CC=CO2)SC

InChI

InChI=1S/C18H24O4S/c1-4-6-13(19)17-14(20)9-12(10-15(17)21)18(23-3)11(2)16-7-5-8-22-16/h5,7-8,11-12,17-18H,4,6,9-10H2,1-3H3