2-(1-oxidanyloctyl)-3-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-(1-oxidanyloctyl)-3-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-(1-hydroxyoctyl)-3-phenylsulfanyl-cyclohexanone CAS Name: 2-(1-hydroxyoctyl)-3-(phenylthio)-1-cyclohexanone IUPAC Name: 2-(1-hydroxyoctyl)-3-phenylsulfanylcyclohexan-1-one Traditional Name: 2-(1-hydroxyoctyl)-3-(phenylthio)cyclohexanone Formula: C20H30O2S MolecularWeight: 334.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1C(CCCC1=O)SC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCC(C1C(CCCC1=O)SC2=CC=CC=C2)O

InChI

InChI=1S/C20H30O2S/c1-2-3-4-5-9-13-17(21)20-18(22)14-10-15-19(20)23-16-11-7-6-8-12-16/h6-8,11-12,17,19-21H,2-5,9-10,13-15H2,1H3