[(3R,4R,5S)-4,5-diacetyloxy-6-isothiocyanato-oxan-3-yl] ethanoate

Systemtic Name: [(3R,4R,5S)-4,5-diacetyloxy-6-isothiocyanato-oxan-3-yl] ethanoate Openeye Name: [(3R,4R,5S)-4,5-diacetoxy-6-isothiocyanato-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3R,4R,5S)-4,5-diacetyloxy-6-isothiocyanato-3-oxanyl] ester IUPAC Name: [(3R,4R,5S)-4,5-diacetyloxy-6-isothiocyanatooxan-3-yl] acetate Traditional Name: acetic acid [(3R,4R,5S)-4,5-diacetoxy-6-isothiocyanato-tetrahydropyran-3-yl] ester Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N=C=S

Isomeric SMILES

CC(=O)O[C@@H]1COC([C@H]([C@@H]1OC(=O)C)OC(=O)C)N=C=S

InChI

InChI=1S/C12H15NO7S/c1-6(14)18-9-4-17-12(13-5-21)11(20-8(3)16)10(9)19-7(2)15/h9-12H,4H2,1-3H3/t9-,10-,11+,12?/m1/s1