2-butanoyl-6-(1-methylsulfanylcyclobutyl)cyclohex-2-ene-1,4-dione

Systemtic Name: 2-butanoyl-6-(1-methylsulfanylcyclobutyl)cyclohex-2-ene-1,4-dione Openeye Name: 2-butanoyl-6-(1-methylsulfanylcyclobutyl)cyclohex-2-ene-1,4-dione CAS Name: 6-[1-(methylthio)cyclobutyl]-2-(1-oxobutyl)cyclohex-2-ene-1,4-dione IUPAC Name: 2-butanoyl-6-(1-methylsulfanylcyclobutyl)cyclohex-2-ene-1,4-dione Traditional Name: 2-butyryl-6-[1-(methylthio)cyclobutyl]cyclohex-2-ene-1,4-quinone Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=O)CC(C1=O)C2(CCC2)SC

Isomeric SMILES

CCCC(=O)C1=CC(=O)CC(C1=O)C2(CCC2)SC

InChI

InChI=1S/C15H20O3S/c1-3-5-13(17)11-8-10(16)9-12(14(11)18)15(19-2)6-4-7-15/h8,12H,3-7,9H2,1-2H3