methyl 2-[2-(2-methylphenyl)sulfanylcyclohexyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(2-methylphenyl)sulfanylcyclohexyl]sulfanylethanoate Openeye Name: methyl 2-[2-(o-tolylsulfanyl)cyclohexyl]sulfanylacetate CAS Name: 2-[[2-[(2-methylphenyl)thio]cyclohexyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylphenyl)sulfanylcyclohexyl]sulfanylacetate Traditional Name: 2-[[2-(o-tolylthio)cyclohexyl]thio]acetic acid methyl ester Formula: C16H22O2S2 MolecularWeight: 310.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2CCCCC2SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1SC2CCCCC2SCC(=O)OC

InChI

InChI=1S/C16H22O2S2/c1-12-7-3-4-8-13(12)20-15-10-6-5-9-14(15)19-11-16(17)18-2/h3-4,7-8,14-15H,5-6,9-11H2,1-2H3