[(2S,3R,4R,5S)-3,4,5-trimethoxy-6-oxidanylidene-oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R,4R,5S)-3,4,5-trimethoxy-6-oxidanylidene-oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3R,4R,5S)-3,4,5-trimethoxy-6-oxo-tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R,4R,5S)-3,4,5-trimethoxy-6-oxo-2-oxanyl]methyl ester IUPAC Name: [(2S,3R,4R,5S)-3,4,5-trimethoxy-6-oxooxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R,4R,5S)-6-keto-3,4,5-trimethoxy-tetrahydropyran-2-yl]methyl ester Formula: C16H22O8S MolecularWeight: 374.40608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(=O)O2)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H22O8S/c1-10-5-7-11(8-6-10)25(18,19)23-9-12-13(20-2)14(21-3)15(22-4)16(17)24-12/h5-8,12-15H,9H2,1-4H3/t12-,13+,14+,15-/m0/s1