[8-methyl-1-(2-methyl-1,3-dioxolan-2-yl)undecan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [8-methyl-1-(2-methyl-1,3-dioxolan-2-yl)undecan-5-yl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-methyl-1-(2-methyl-1,3-dioxolan-2-yl)undecan-5-yl] ester IUPAC Name: [8-methyl-1-(2-methyl-1,3-dioxolan-2-yl)undecan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-methyl-1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]heptyl] ester Formula: C23H38O5S MolecularWeight: 426.60982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCC(CCCCC1(OCCO1)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C)CCC(CCCCC1(OCCO1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H38O5S/c1-5-8-19(2)10-13-21(9-6-7-16-23(4)26-17-18-27-23)28-29(24,25)22-14-11-20(3)12-15-22/h11-12,14-15,19,21H,5-10,13,16-18H2,1-4H3