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2-phenethylsulfanylcyclohexane-1,3-dione

2-phenethylsulfanylcyclohexane-1,3-dione

Systemtic Name:2-phenethylsulfanylcyclohexane-1,3-dione
Openeye Name:2-phenethylsulfanylcyclohexane-1,3-dione
CAS Name:2-(phenethylthio)cyclohexane-1,3-dione
IUPAC Name:2-phenethylsulfanylcyclohexane-1,3-dione
Traditional Name:2-(phenethylthio)cyclohexane-1,3-quinone
Formula: C14H16O2S
MolecularWeight: 248.34064
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)SCCC2=CC=CC=C2


Isomeric SMILES

C1CC(=O)C(C(=O)C1)SCCC2=CC=CC=C2


InChI

InChI=1S/C14H16O2S/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2


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