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2-[oxidanyl-(phenylmethylsulfanyl)methylidene]cyclohexane-1,3-dione

2-[oxidanyl-(phenylmethylsulfanyl)methylidene]cyclohexane-1,3-dione

Systemtic Name:2-[oxidanyl-(phenylmethylsulfanyl)methylidene]cyclohexane-1,3-dione
Openeye Name:2-[benzylsulfanyl(hydroxy)methylene]cyclohexane-1,3-dione
CAS Name:2-[hydroxy-(phenylmethylthio)methylidene]cyclohexane-1,3-dione
IUPAC Name:2-[benzylsulfanyl(hydroxy)methylidene]cyclohexane-1,3-dione
Traditional Name:2-[(benzylthio)-hydroxy-methylene]cyclohexane-1,3-quinone
Formula: C14H14O3S
MolecularWeight: 262.32416
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(O)SCC2=CC=CC=C2)C(=O)C1


Isomeric SMILES

C1CC(=O)C(=C(O)SCC2=CC=CC=C2)C(=O)C1


InChI

InChI=1S/C14H14O3S/c15-11-7-4-8-12(16)13(11)14(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,17H,4,7-9H2


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