methyl 2-(2-oxidanylidenecyclohexyl)-2-phenylsulfanyl-ethanoate

Systemtic Name: methyl 2-(2-oxidanylidenecyclohexyl)-2-phenylsulfanyl-ethanoate Openeye Name: methyl 2-(2-oxocyclohexyl)-2-phenylsulfanyl-acetate CAS Name: 2-(2-oxocyclohexyl)-2-(phenylthio)acetic acid methyl ester IUPAC Name: methyl 2-(2-oxocyclohexyl)-2-phenylsulfanylacetate Traditional Name: 2-(2-ketocyclohexyl)-2-(phenylthio)acetic acid methyl ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C1CCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C15H18O3S/c1-18-15(17)14(12-9-5-6-10-13(12)16)19-11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3