(3,4,5-triacetyloxy-1,6-diisothiocyanato-hexan-2-yl) ethanoate

Systemtic Name: (3,4,5-triacetyloxy-1,6-diisothiocyanato-hexan-2-yl) ethanoate Openeye Name: [2,3,4-triacetoxy-5-isothiocyanato-1-(isothiocyanatomethyl)pentyl] acetate CAS Name: acetic acid (3,4,5-triacetyloxy-1,6-diisothiocyanatohexan-2-yl) ester IUPAC Name: (3,4,5-triacetyloxy-1,6-diisothiocyanatohexan-2-yl) acetate Traditional Name: acetic acid [2,3,4-triacetoxy-5-isothiocyanato-1-(isothiocyanatomethyl)pentyl] ester Formula: C16H20N2O8S2 MolecularWeight: 432.4686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN=C=S)C(C(C(CN=C=S)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC(CN=C=S)C(C(C(CN=C=S)OC(=O)C)OC(=O)C)OC(=O)C

InChI

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