[2,4,5-tris(oxidanyl)-1-oxidanylidene-6-sulfooxy-hexan-3-yl] hydrogen sulfate

Systemtic Name: [2,4,5-tris(oxidanyl)-1-oxidanylidene-6-sulfooxy-hexan-3-yl] hydrogen sulfate Openeye Name: [2,3-dihydroxy-1-(1-hydroxy-2-oxo-ethyl)-4-sulfooxy-butyl] hydrogen sulfate CAS Name: sulfuric acid (2,4,5-trihydroxy-1-oxo-6-sulfooxyhexan-3-yl) ester IUPAC Name: (2,4,5-trihydroxy-1-oxo-6-sulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [2,3-dihydroxy-1-(1-hydroxy-2-keto-ethyl)-4-sulfoxy-butyl] ester Formula: C6H12O12S2 MolecularWeight: 340.28228

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C=O)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O

Isomeric SMILES

C(C(C(C(C(C=O)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C6H12O12S2/c7-1-3(8)6(18-20(14,15)16)5(10)4(9)2-17-19(11,12)13/h1,3-6,8-10H,2H2,(H,11,12,13)(H,14,15,16)