(3,4-diacetyloxy-6-isothiocyanato-5-thiocyanato-oxan-2-yl)methyl ethanoate

Systemtic Name: (3,4-diacetyloxy-6-isothiocyanato-5-thiocyanato-oxan-2-yl)methyl ethanoate Openeye Name: (3,4-diacetoxy-6-isothiocyanato-5-thiocyanato-tetrahydropyran-2-yl)methyl acetate CAS Name: acetic acid (3,4-diacetyloxy-6-isothiocyanato-5-thiocyanato-2-oxanyl)methyl ester IUPAC Name: (3,4-diacetyloxy-6-isothiocyanato-5-thiocyanatooxan-2-yl)methyl acetate Traditional Name: acetic acid (3,4-diacetoxy-6-isothiocyanato-5-thiocyanato-tetrahydropyran-2-yl)methyl ester Formula: C14H16N2O7S2 MolecularWeight: 388.41604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7S2/c1-7(17)20-4-10-11(21-8(2)18)12(22-9(3)19)13(25-5-15)14(23-10)16-6-24/h10-14H,4H2,1-3H3