[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] N-sulfooxypropanimidothioate

Systemtic Name: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] N-sulfooxypropanimidothioate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxypropanimidothioate CAS Name: N-sulfooxypropanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxypropanimidothioate Traditional Name: N-sulfoxythiopropionimidic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C9H17NO9S2 MolecularWeight: 347.36258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C9H17NO9S2/c1-2-5(10-19-21(15,16)17)20-9-8(14)7(13)6(12)4(3-11)18-9/h4,6-9,11-14H,2-3H2,1H3,(H,15,16,17)