methyl 2-[2-(3-methoxyphenyl)sulfanylcyclohexyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(3-methoxyphenyl)sulfanylcyclohexyl]sulfanylethanoate Openeye Name: methyl 2-[2-(3-methoxyphenyl)sulfanylcyclohexyl]sulfanylacetate CAS Name: 2-[[2-[(3-methoxyphenyl)thio]cyclohexyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-methoxyphenyl)sulfanylcyclohexyl]sulfanylacetate Traditional Name: 2-[[2-[(3-methoxyphenyl)thio]cyclohexyl]thio]acetic acid methyl ester Formula: C16H22O3S2 MolecularWeight: 326.47408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2CCCCC2SCC(=O)OC

Isomeric SMILES

COC1=CC(=CC=C1)SC2CCCCC2SCC(=O)OC

InChI

InChI=1S/C16H22O3S2/c1-18-12-6-5-7-13(10-12)21-15-9-4-3-8-14(15)20-11-16(17)19-2/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3