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

Systemtic Name: [2-(5-methyl-5-oxidanyl-undecyl)-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-(5-hydroxy-5-methyl-undecyl)-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(5-hydroxy-5-methylundecyl)-1,3-dioxolan-2-yl] ester IUPAC Name: [2-(5-hydroxy-5-methylundecyl)-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(5-hydroxy-5-methyl-undecyl)-1,3-dioxolan-2-yl] ester Formula: C22H36O6S MolecularWeight: 428.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCCCC1(OCCO1)OS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCCCC(C)(CCCCC1(OCCO1)OS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C22H36O6S/c1-4-5-6-7-14-21(3,23)15-8-9-16-22(26-17-18-27-22)28-29(24,25)20-12-10-19(2)11-13-20/h10-13,23H,4-9,14-18H2,1-3H3