2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfonylethanoic acid

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfonylethanoic acid Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfonylacetic acid CAS Name: 2-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]sulfonylacetic acid IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfonylacetic acid Traditional Name: 2-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]sulfonylacetic acid Formula: C22H34O5S2 MolecularWeight: 442.63236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2S(=O)(=O)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2S(=O)(=O)CC(=O)O

InChI

InChI=1S/C22H34O5S2/c1-21(2,3)15-11-14(12-16(20(15)25)22(4,5)6)28-17-9-7-8-10-18(17)29(26,27)13-19(23)24/h11-12,17-18,25H,7-10,13H2,1-6H3,(H,23,24)