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

Systemtic Name: [4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxy hydrogen sulfate Openeye Name: [2,3,4-trihydroxy-1-(2-oxoethyl)butoxy] hydrogen sulfate CAS Name: sulfuric acid (4,5,6-trihydroxy-1-oxohexan-3-yl)oxy ester IUPAC Name: (4,5,6-trihydroxy-1-oxohexan-3-yl)oxy hydrogen sulfate Traditional Name: sulfuric acid [2,3,4-trihydroxy-1-(2-ketoethyl)butoxy] ester Formula: C6H12O9S MolecularWeight: 260.21908

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Descriptors Computed from Structure

Canonical SMILES:

C(C=O)C(C(C(CO)O)O)OOS(=O)(=O)O

Isomeric SMILES

C(C=O)C(C(C(CO)O)O)OOS(=O)(=O)O

InChI

InChI=1S/C6H12O9S/c7-2-1-5(6(10)4(9)3-8)14-15-16(11,12)13/h2,4-6,8-10H,1,3H2,(H,11,12,13)