[(2R,3R,4R,5R)-3,4,5-triacetyloxy-1,6-dithiocyanatooxy-hexan-2-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4,5-triacetyloxy-1,6-dithiocyanatooxy-hexan-2-yl] ethanoate Openeye Name: [(1R,2R,3R,4R)-2,3,4-triacetoxy-5-thiocyanatooxy-1-(thiocyanatooxymethyl)pentyl] acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4,5-triacetyloxy-1,6-dithiocyanatooxyhexan-2-yl] ester IUPAC Name: [(2R,3R,4R,5R)-3,4,5-triacetyloxy-1,6-dithiocyanatooxyhexan-2-yl] acetate Traditional Name: acetic acid [(1R,2R,3R,4R)-2,3,4-triacetoxy-5-thiocyanatooxy-1-(thiocyanatooxymethyl)pentyl] ester Formula: C16H20N2O10S2 MolecularWeight: 464.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(COSC#N)C(C(C(COSC#N)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H](COSC#N)[C@H]([C@@H]([C@@H](COSC#N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H20N2O10S2/c1-9(19)25-13(5-23-29-7-17)15(27-11(3)21)16(28-12(4)22)14(26-10(2)20)6-24-30-8-18/h13-16H,5-6H2,1-4H3/t13-,14-,15-,16-/m1/s1