[4-methyl-2-(5-methyl-5-oxidanyl-4-oxidanylidene-undecyl)-1,3-dioxetan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-2-(5-methyl-5-oxidanyl-4-oxidanylidene-undecyl)-1,3-dioxetan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-(5-hydroxy-5-methyl-4-oxo-undecyl)-4-methyl-1,3-dioxetan-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(5-hydroxy-5-methyl-4-oxoundecyl)-4-methyl-1,3-dioxetan-2-yl] ester IUPAC Name: [2-(5-hydroxy-5-methyl-4-oxoundecyl)-4-methyl-1,3-dioxetan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(5-hydroxy-4-keto-5-methyl-undecyl)-4-methyl-1,3-dioxetan-2-yl] ester Formula: C22H34O7S MolecularWeight: 442.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(=O)CCCC1(OC(O1)C)OS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCCCC(C)(C(=O)CCCC1(OC(O1)C)OS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C22H34O7S/c1-5-6-7-8-15-21(4,24)20(23)10-9-16-22(27-18(3)28-22)29-30(25,26)19-13-11-17(2)12-14-19/h11-14,18,24H,5-10,15-16H2,1-4H3