[(2R,3S,4R,5R,6S)-2-(cyanomethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl] hydrogen sulfate

Systemtic Name: [(2R,3S,4R,5R,6S)-2-(cyanomethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl] hydrogen sulfate Openeye Name: [(2R,3S,4R,5R,6S)-4,5-dibenzyloxy-2-(cyanomethyl)-6-methoxy-tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4R,5R,6S)-2-(cyanomethyl)-6-methoxy-4,5-bis(phenylmethoxy)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-2-(cyanomethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4R,5R,6S)-4,5-dibenzoxy-2-(cyanomethyl)-6-methoxy-tetrahydropyran-3-yl] ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CC#N)OS(=O)(=O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CC#N)OS(=O)(=O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO8S/c1-27-22-21(29-15-17-10-6-3-7-11-17)20(28-14-16-8-4-2-5-9-16)19(31-32(24,25)26)18(30-22)12-13-23/h2-11,18-22H,12,14-15H2,1H3,(H,24,25,26)/t18-,19+,20+,21-,22+/m1/s1