[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-isothiocyanato-3-oxidanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-isothiocyanato-3-oxidanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-4,5-diacetoxy-3-hydroxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-hydroxy-6-isothiocyanato-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-hydroxy-6-isothiocyanatooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetoxy-3-hydroxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl ester Formula: C13H17NO8S MolecularWeight: 347.34098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C)OC(=O)C)O

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C)OC(=O)C)O

InChI

InChI=1S/C13H17NO8S/c1-6(15)19-4-9-10(18)11(20-7(2)16)12(21-8(3)17)13(22-9)14-5-23/h9-13,18H,4H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1