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

Systemtic Name: [2-(4-methyl-4-oxidanyl-3-oxidanylidene-heptyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(4-hydroxy-4-methyl-3-oxo-heptyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-4-methyl-3-oxoheptyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [2-(4-hydroxy-4-methyl-3-oxoheptyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-3-keto-4-methyl-heptyl)-1,3-dioxolan-2-yl]methyl ester Formula: C19H28O7S MolecularWeight: 400.48642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O7S/c1-4-10-18(3,21)17(20)9-11-19(24-12-13-25-19)14-26-27(22,23)16-7-5-15(2)6-8-16/h5-8,21H,4,9-14H2,1-3H3