5,5-dimethyl-2-(3-methylbutylsulfanyl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-(3-methylbutylsulfanyl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-isopentylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-(3-methylbutylthio)-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-(3-methylbutylsulfanyl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-(isoamylthio)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(CC(CC1=O)(C)C)O

Isomeric SMILES

CC(C)CCSC1=C(CC(CC1=O)(C)C)O

InChI

InChI=1S/C13H22O2S/c1-9(2)5-6-16-12-10(14)7-13(3,4)8-11(12)15/h9,14H,5-8H2,1-4H3