[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-2,3,4,5,6-pentadeuterio-N-sulfooxy-benzenecarboximidothioate

Systemtic Name: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-2,3,4,5,6-pentadeuterio-N-sulfooxy-benzenecarboximidothioate Openeye Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-2,3,4,5,6-pentadeuterio-N-sulfooxy-benzenecarboximidothioate CAS Name: (1E)-2,3,4,5,6-pentadeuterio-N-sulfooxybenzenecarboximidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2,3,4,5,6-pentadeuterio-N-sulfooxybenzenecarboximidothioate Traditional Name: (1E)-2,3,4,5,6-pentadeuterio-N-sulfoxy-benzenecarboximidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester Formula: C13H17NO9S2 MolecularWeight: 400.436189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[2H])[2H]

InChI

InChI=1S/C13H17NO9S2/c15-6-8-9(16)10(17)11(18)13(22-8)24-12(14-23-25(19,20)21)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,19,20,21)/b14-12+/t8-,9-,10+,11-,13+/m1/s1/i1D,2D,3D,4D,5D