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

Systemtic Name: [2-(4-methyl-4-oxidanyl-3-oxidanylidene-nonyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(4-hydroxy-4-methyl-3-oxo-nonyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-4-methyl-3-oxononyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [2-(4-hydroxy-4-methyl-3-oxononyl)-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-hydroxy-3-keto-4-methyl-nonyl)-1,3-dioxolan-2-yl]methyl ester Formula: C21H32O7S MolecularWeight: 428.53958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O7S/c1-4-5-6-12-20(3,23)19(22)11-13-21(26-14-15-27-21)16-28-29(24,25)18-9-7-17(2)8-10-18/h7-10,23H,4-6,11-16H2,1-3H3