[2-[9-(1-methoxyethoxymethoxy)-4,8-dimethyl-4-oxidanyl-3-oxidanylidene-nonyl]-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[9-(1-methoxyethoxymethoxy)-4,8-dimethyl-4-oxidanyl-3-oxidanylidene-nonyl]-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[4-hydroxy-9-(1-methoxyethoxymethoxy)-4,8-dimethyl-3-oxo-nonyl]-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[4-hydroxy-9-(1-methoxyethoxymethoxy)-4,8-dimethyl-3-oxononyl]-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [2-[4-hydroxy-9-(1-methoxyethoxymethoxy)-4,8-dimethyl-3-oxononyl]-1,3-dioxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[4-hydroxy-3-keto-9-(1-methoxyethoxymethoxy)-4,8-dimethyl-nonyl]-1,3-dioxolan-2-yl]methyl ester Formula: C26H42O10S MolecularWeight: 546.67068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(OCCO2)CCC(=O)C(C)(CCCC(C)COCOC(C)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(OCCO2)CCC(=O)C(C)(CCCC(C)COCOC(C)OC)O

InChI

InChI=1S/C26H42O10S/c1-20-8-10-23(11-9-20)37(29,30)36-18-26(34-15-16-35-26)14-12-24(27)25(4,28)13-6-7-21(2)17-32-19-33-22(3)31-5/h8-11,21-22,28H,6-7,12-19H2,1-5H3