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methyl 2-oxidanylidene-2-[2-(phenylmethylsulfanyl)cyclohexyl]ethanoate

methyl 2-oxidanylidene-2-[2-(phenylmethylsulfanyl)cyclohexyl]ethanoate

Systemtic Name:methyl 2-oxidanylidene-2-[2-(phenylmethylsulfanyl)cyclohexyl]ethanoate
Openeye Name:methyl 2-(2-benzylsulfanylcyclohexyl)-2-oxo-acetate
CAS Name:2-oxo-2-[2-(phenylmethylthio)cyclohexyl]acetic acid methyl ester
IUPAC Name:methyl 2-(2-benzylsulfanylcyclohexyl)-2-oxoacetate
Traditional Name:2-[2-(benzylthio)cyclohexyl]-2-keto-acetic acid methyl ester
Formula: C16H20O3S
MolecularWeight: 292.3932
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1CCCCC1SCC2=CC=CC=C2


Isomeric SMILES

COC(=O)C(=O)C1CCCCC1SCC2=CC=CC=C2


InChI

InChI=1S/C16H20O3S/c1-19-16(18)15(17)13-9-5-6-10-14(13)20-11-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3


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