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

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

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2OCC(CO2)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2OCC(CO2)(C)C

InChI

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