6-(3-methyl-3-oxidanyl-butyl)-4,4-bis(methylsulfanyl)cyclohexane-1,3-dione

Systemtic Name: 6-(3-methyl-3-oxidanyl-butyl)-4,4-bis(methylsulfanyl)cyclohexane-1,3-dione Openeye Name: 6-(3-hydroxy-3-methyl-butyl)-4,4-bis(methylsulfanyl)cyclohexane-1,3-dione CAS Name: 6-(3-hydroxy-3-methylbutyl)-4,4-bis(methylthio)cyclohexane-1,3-dione IUPAC Name: 6-(3-hydroxy-3-methylbutyl)-4,4-bis(methylsulfanyl)cyclohexane-1,3-dione Traditional Name: 6-(3-hydroxy-3-methyl-butyl)-4,4-bis(methylthio)cyclohexane-1,3-quinone Formula: C13H22O3S2 MolecularWeight: 290.44198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1CC(C(=O)CC1=O)(SC)SC)O

Isomeric SMILES

CC(C)(CCC1CC(C(=O)CC1=O)(SC)SC)O

InChI

InChI=1S/C13H22O3S2/c1-12(2,16)6-5-9-8-13(17-3,18-4)11(15)7-10(9)14/h9,16H,5-8H2,1-4H3