[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-isothiocyanato-6-oxidanylidene-hexyl] ethanoate

Systemtic Name: [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-isothiocyanato-6-oxidanylidene-hexyl] ethanoate Openeye Name: [(2R,3R,4S,5R)-2,3,4,5-tetraacetoxy-6-isothiocyanato-6-oxo-hexyl] acetate CAS Name: acetic acid [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-isothiocyanato-6-oxohexyl] ester IUPAC Name: [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-isothiocyanato-6-oxohexyl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-2,3,4,5-tetraacetoxy-6-isothiocyanato-6-keto-hexyl] ester Formula: C17H21NO11S MolecularWeight: 447.41374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C(=O)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO11S/c1-8(19)25-6-13(26-9(2)20)14(27-10(3)21)15(28-11(4)22)16(29-12(5)23)17(24)18-7-30/h13-16H,6H2,1-5H3/t13-,14-,15+,16-/m1/s1