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

Systemtic Name: [2-[2-(4-methyl-4-oxidanyl-heptyl)-1,3-dioxolan-2-yl]-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-[2-(4-hydroxy-4-methyl-heptyl)-1,3-dioxolan-2-yl]-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-(4-hydroxy-4-methylheptyl)-1,3-dioxolan-2-yl]-1,3-dioxolan-2-yl] ester IUPAC Name: [2-[2-(4-hydroxy-4-methylheptyl)-1,3-dioxolan-2-yl]-1,3-dioxolan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-(4-hydroxy-4-methyl-heptyl)-1,3-dioxolan-2-yl]-1,3-dioxolan-2-yl] ester Formula: C21H32O8S MolecularWeight: 444.53898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CCCC1(OCCO1)C2(OCCO2)OS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCCC(C)(CCCC1(OCCO1)C2(OCCO2)OS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C21H32O8S/c1-4-10-19(3,22)11-5-12-20(25-13-14-26-20)21(27-15-16-28-21)29-30(23,24)18-8-6-17(2)7-9-18/h6-9,22H,4-5,10-16H2,1-3H3