[2-[2-[2-(2-oxidanylpentan-2-yl)-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C1(OCCO1)CCC2(OCCO2)COS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCCC(C)(C1(OCCO1)CCC2(OCCO2)COS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C21H32O8S/c1-4-9-19(3,22)21(27-14-15-28-21)11-10-20(25-12-13-26-20)16-29-30(23,24)18-7-5-17(2)6-8-18/h5-8,22H,4,9-16H2,1-3H3