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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O12S2/c7-1-3(9)5(10)6(18-20(14,15)16)4(2-8)17-19(11,12)13/h2-7,9-10H,1H2,(H,11,12,13)(H,14,15,16)