2-butanoyl-3-ethylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-3-ethylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-ethylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-(ethylthio)-5,5-dimethyl-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-butyryl-3-(ethylthio)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C14H22O2S MolecularWeight: 254.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)(C)C)SCC

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)(C)C)SCC

InChI

InChI=1S/C14H22O2S/c1-5-7-10(15)13-11(16)8-14(3,4)9-12(13)17-6-2/h5-9H2,1-4H3