methyl 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclopentyl]sulfonylethanoate

Systemtic Name: methyl 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclopentyl]sulfonylethanoate Openeye Name: methyl 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclopentyl]sulfonylacetate CAS Name: 2-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclopentyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclopentyl]sulfonylacetate Traditional Name: 2-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclopentyl]sulfonylacetic acid methyl ester 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)SC2CCCC2S(=O)(=O)CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCC2S(=O)(=O)CC(=O)OC

InChI

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