[(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R,5R)-5-lauryl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester Formula: C25H42O5S MolecularWeight: 454.66298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1C(OC(O1)(C)C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCC[C@@H]1[C@H](OC(O1)(C)C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H42O5S/c1-5-6-7-8-9-10-11-12-13-14-15-23-24(30-25(3,4)29-23)20-28-31(26,27)22-18-16-21(2)17-19-22/h16-19,23-24H,5-15,20H2,1-4H3/t23-,24-/m1/s1