methyl 2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylethanoate

Systemtic Name: methyl 2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylethanoate Openeye Name: methyl 2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylacetate CAS Name: 2-[[(1S,2S)-2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylacetate Traditional Name: 2-[[(1S,2S)-2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]acetic acid methyl ester Formula: C23H36O2S2 MolecularWeight: 408.66074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)S[C@H]2CCCC[C@@H]2SCC(=O)OC)C(C)(C)C

InChI

InChI=1S/C23H36O2S2/c1-22(2,3)16-12-17(23(4,5)6)14-18(13-16)27-20-11-9-8-10-19(20)26-15-21(24)25-7/h12-14,19-20H,8-11,15H2,1-7H3/t19-,20-/m0/s1