1,3-dioxan-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1,3-dioxan-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1,3-dioxan-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,3-dioxan-2-ylmethyl ester IUPAC Name: 1,3-dioxan-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,3-dioxan-2-ylmethyl ester Formula: C12H16O5S MolecularWeight: 272.31744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2OCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2OCCCO2

InChI

InChI=1S/C12H16O5S/c1-10-3-5-11(6-4-10)18(13,14)17-9-12-15-7-2-8-16-12/h3-6,12H,2,7-9H2,1H3