[(1S,2S,5R)-4-oxidanylidene-3-oxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S,5R)-4-oxidanylidene-3-oxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2S,5R)-4-oxo-3-oxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S,5R)-4-oxo-3-oxabicyclo[3.1.0]hexan-2-yl]methyl ester IUPAC Name: [(1S,2S,5R)-4-oxo-3-oxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S,5R)-4-keto-3-oxabicyclo[3.1.0]hexan-2-yl]methyl ester Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CC3C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]3C[C@H]3C(=O)O2

InChI

InChI=1S/C13H14O5S/c1-8-2-4-9(5-3-8)19(15,16)17-7-12-10-6-11(10)13(14)18-12/h2-5,10-12H,6-7H2,1H3/t10-,11+,12+/m0/s1