(2-methyl-1,3-dioxan-2-yl) 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(OCCCO2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(OCCCO2)C

InChI

InChI=1S/C12H16O5S/c1-10-4-6-11(7-5-10)18(13,14)17-12(2)15-8-3-9-16-12/h4-7H,3,8-9H2,1-2H3