[(1S)-1-[(2R)-5-oxidanylideneoxolan-2-yl]prop-2-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-1-[(2R)-5-oxidanylideneoxolan-2-yl]prop-2-ynyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(2R)-5-oxotetrahydrofuran-2-yl]prop-2-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-1-[(2R)-5-oxo-2-oxolanyl]prop-2-ynyl] ester IUPAC Name: [(1S)-1-[(2R)-5-oxooxolan-2-yl]prop-2-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(2R)-5-ketotetrahydrofuran-2-yl]prop-2-ynyl] ester Formula: C14H14O5S MolecularWeight: 294.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C#C)C2CCC(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C#C)[C@H]2CCC(=O)O2

InChI

InChI=1S/C14H14O5S/c1-3-12(13-8-9-14(15)18-13)19-20(16,17)11-6-4-10(2)5-7-11/h1,4-7,12-13H,8-9H2,2H3/t12-,13+/m0/s1