2-(2-oxidanylidenebut-3-enyl)-6-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-(2-oxidanylidenebut-3-enyl)-6-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-(2-oxobut-3-enyl)-6-phenylsulfanyl-cyclohexanone CAS Name: 2-(2-oxobut-3-enyl)-6-(phenylthio)-1-cyclohexanone IUPAC Name: 2-(2-oxobut-3-enyl)-6-phenylsulfanylcyclohexan-1-one Traditional Name: 2-(2-ketobut-3-enyl)-6-(phenylthio)cyclohexanone Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC1CCCC(C1=O)SC2=CC=CC=C2

Isomeric SMILES

C=CC(=O)CC1CCCC(C1=O)SC2=CC=CC=C2

InChI

InChI=1S/C16H18O2S/c1-2-13(17)11-12-7-6-10-15(16(12)18)19-14-8-4-3-5-9-14/h2-5,8-9,12,15H,1,6-7,10-11H2