2-butanoyl-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione CAS Name: 5-[1-(methylthio)cyclopropyl]-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-[1-(methylthio)cyclopropyl]cyclohexane-1,3-quinone Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C2(CC2)SC

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C2(CC2)SC

InChI

InChI=1S/C14H20O3S/c1-3-4-10(15)13-11(16)7-9(8-12(13)17)14(18-2)5-6-14/h9,13H,3-8H2,1-2H3