3,4-dihydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 3,4-dihydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 3,4-dihydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,4-dihydro-2H-pyran-2-ylmethyl ester IUPAC Name: 3,4-dihydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,4-dihydro-2H-pyran-2-ylmethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC=CO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC=CO2

InChI

InChI=1S/C13H16O4S/c1-11-5-7-13(8-6-11)18(14,15)17-10-12-4-2-3-9-16-12/h3,5-9,12H,2,4,10H2,1H3