2-[1-(phenylmethylsulfanyl)cyclohexyl]ethanoate

Systemtic Name: 2-[1-(phenylmethylsulfanyl)cyclohexyl]ethanoate Openeye Name: 2-(1-benzylsulfanylcyclohexyl)acetate CAS Name: 2-[1-(phenylmethylthio)cyclohexyl]acetate IUPAC Name: 2-(1-benzylsulfanylcyclohexyl)acetate Traditional Name: 2-[1-(benzylthio)cyclohexyl]acetate Formula: C15H19O2S- MolecularWeight: 263.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(CC(=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C15H20O2S/c16-14(17)11-15(9-5-2-6-10-15)18-12-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17)/p-1