[(2S)-3-methyl-5-oxidanylidene-oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-methyl-5-oxidanylidene-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-3-methyl-5-oxo-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-methyl-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(2S)-3-methyl-5-oxooxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-5-keto-3-methyl-tetrahydrofuran-2-yl]methyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)OC1COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1CC(=O)O[C@@H]1COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H16O5S/c1-9-3-5-11(6-4-9)19(15,16)17-8-12-10(2)7-13(14)18-12/h3-6,10,12H,7-8H2,1-2H3/t10?,12-/m1/s1