2-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfonylethanoate

Systemtic Name: 2-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfonylethanoate Openeye Name: 2-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfonylacetate CAS Name: 2-[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]sulfonylacetate IUPAC Name: 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfonylacetate Traditional Name: 2-[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]sulfonylacetate Formula: C22H33O5S2- MolecularWeight: 441.62442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2(CCCCC2)S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2(CCCCC2)S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C22H34O5S2/c1-20(2,3)16-12-15(13-17(19(16)25)21(4,5)6)28-22(10-8-7-9-11-22)29(26,27)14-18(23)24/h12-13,25H,7-11,14H2,1-6H3,(H,23,24)/p-1