4,4-bis(ethylsulfanyl)-6-[(1S,2S)-2-oxidanylcyclohexyl]cyclohexane-1,3-dione

Systemtic Name: 4,4-bis(ethylsulfanyl)-6-[(1S,2S)-2-oxidanylcyclohexyl]cyclohexane-1,3-dione Openeye Name: 4,4-bis(ethylsulfanyl)-6-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1,3-dione CAS Name: 4,4-bis(ethylthio)-6-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1,3-dione IUPAC Name: 4,4-bis(ethylsulfanyl)-6-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1,3-dione Traditional Name: 4,4-bis(ethylthio)-6-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1,3-quinone Formula: C16H26O3S2 MolecularWeight: 330.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(CC(C(=O)CC1=O)C2CCCCC2O)SCC

Isomeric SMILES

CCSC1(CC(C(=O)CC1=O)[C@@H]2CCCC[C@@H]2O)SCC

InChI

InChI=1S/C16H26O3S2/c1-3-20-16(21-4-2)10-12(14(18)9-15(16)19)11-7-5-6-8-13(11)17/h11-13,17H,3-10H2,1-2H3/t11-,12?,13-/m0/s1