methyl 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanylethanoate Openeye Name: methyl 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfanylacetate CAS Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfanylacetate Traditional Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]thio]acetic acid methyl ester Formula: C23H36O3S2 MolecularWeight: 424.66014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2SCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2SCC(=O)OC

InChI

InChI=1S/C23H36O3S2/c1-22(2,3)16-12-15(13-17(21(16)25)23(4,5)6)28-19-11-9-8-10-18(19)27-14-20(24)26-7/h12-13,18-19,25H,8-11,14H2,1-7H3