methylsulfonyl 3-(2-methylpropyl)-4,5-bis(oxidanyl)cyclohexane-1-carboperoxoate

Systemtic Name: methylsulfonyl 3-(2-methylpropyl)-4,5-bis(oxidanyl)cyclohexane-1-carboperoxoate Openeye Name: methylsulfonyl 3,4-dihydroxy-5-isobutyl-cyclohexanecarboperoxoate CAS Name: 3,4-dihydroxy-5-(2-methylpropyl)-1-cyclohexanecarboperoxoic acid methylsulfonyl ester IUPAC Name: methylsulfonyl 3,4-dihydroxy-5-(2-methylpropyl)cyclohexane-1-carboperoxoate Traditional Name: 3,4-dihydroxy-5-isobutyl-cyclohexanecarboperoxoic acid mesyl ester Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(CC(C1O)O)C(=O)OOS(=O)(=O)C

Isomeric SMILES

CC(C)CC1CC(CC(C1O)O)C(=O)OOS(=O)(=O)C

InChI

InChI=1S/C12H22O7S/c1-7(2)4-8-5-9(6-10(13)11(8)14)12(15)18-19-20(3,16)17/h7-11,13-14H,4-6H2,1-3H3