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

Systemtic Name: [2-(4-methyl-4-oxidanyl-3-oxidanylidene-octyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(4-hydroxy-4-methyl-3-oxo-octyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-4-methyl-3-oxooctyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [2-(4-hydroxy-4-methyl-3-oxooctyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-3-keto-4-methyl-octyl)-1,3-dioxolan-2-yl]methyl ester Formula: C20H30O7S MolecularWeight: 414.513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)CCC1(OCCO1)COS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCC(C)(C(=O)CCC1(OCCO1)COS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C20H30O7S/c1-4-5-11-19(3,22)18(21)10-12-20(25-13-14-26-20)15-27-28(23,24)17-8-6-16(2)7-9-17/h6-9,22H,4-5,10-15H2,1-3H3