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

Systemtic Name: [(2S,3S,4S,5S)-3,4,5-triacetyloxy-1,6-dithiocyanato-hexan-2-yl] ethanoate Openeye Name: [(1S,2S,3S,4S)-2,3,4-triacetoxy-5-thiocyanato-1-(thiocyanatomethyl)pentyl] acetate CAS Name: acetic acid [(2S,3S,4S,5S)-3,4,5-triacetyloxy-1,6-dithiocyanatohexan-2-yl] ester IUPAC Name: [(2S,3S,4S,5S)-3,4,5-triacetyloxy-1,6-dithiocyanatohexan-2-yl] acetate Traditional Name: acetic acid [(1S,2S,3S,4S)-2,3,4-triacetoxy-5-thiocyanato-1-(thiocyanatomethyl)pentyl] ester Formula: C16H20N2O8S2 MolecularWeight: 432.4686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O8S2/c1-9(19)23-13(5-27-7-17)15(25-11(3)21)16(26-12(4)22)14(6-28-8-18)24-10(2)20/h13-16H,5-6H2,1-4H3/t13-,14-,15-,16-/m1/s1