1-[4,5-diethanoyl-6-isothiocyanato-3,4,5,6-tetrakis(oxidanyl)oxan-3-yl]ethanone

Systemtic Name: 1-[4,5-diethanoyl-6-isothiocyanato-3,4,5,6-tetrakis(oxidanyl)oxan-3-yl]ethanone Openeye Name: 1-(4,5-diacetyl-3,4,5,6-tetrahydroxy-6-isothiocyanato-tetrahydropyran-3-yl)ethanone CAS Name: 1-(4,5-diacetyl-3,4,5,6-tetrahydroxy-6-isothiocyanato-3-oxanyl)ethanone IUPAC Name: 1-(4,5-diacetyl-3,4,5,6-tetrahydroxy-6-isothiocyanatooxan-3-yl)ethanone Traditional Name: 1-(4,5-diacetyl-3,4,5,6-tetrahydroxy-6-isothiocyanato-tetrahydropyran-3-yl)ethanone Formula: C12H15NO8S MolecularWeight: 333.3144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(COC(C(C1(C(=O)C)O)(C(=O)C)O)(N=C=S)O)O

Isomeric SMILES

CC(=O)C1(COC(C(C1(C(=O)C)O)(C(=O)C)O)(N=C=S)O)O

InChI

InChI=1S/C12H15NO8S/c1-6(14)9(17)4-21-12(20,13-5-22)11(19,8(3)16)10(9,18)7(2)15/h17-20H,4H2,1-3H3