1-(5,5-dimethyl-1,3-dioxan-2-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 1-(5,5-dimethyl-1,3-dioxan-2-yl)propyl 4-methylbenzenesulfonate Openeye Name: 1-(5,5-dimethyl-1,3-dioxan-2-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(5,5-dimethyl-1,3-dioxan-2-yl)propyl ester IUPAC Name: 1-(5,5-dimethyl-1,3-dioxan-2-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(5,5-dimethyl-1,3-dioxan-2-yl)propyl ester Formula: C16H24O5S MolecularWeight: 328.42376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1OCC(CO1)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C1OCC(CO1)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H24O5S/c1-5-14(15-19-10-16(3,4)11-20-15)21-22(17,18)13-8-6-12(2)7-9-13/h6-9,14-15H,5,10-11H2,1-4H3