(5-methyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-methyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-1,3-dioxan-5-yl)methyl ester IUPAC Name: (5-methyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methyl-1,3-dioxan-5-yl)methyl ester Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COCOC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COCOC2)C

InChI

InChI=1S/C13H18O5S/c1-11-3-5-12(6-4-11)19(14,15)18-9-13(2)7-16-10-17-8-13/h3-6H,7-10H2,1-2H3