(1-oxidanylidene-2,4,5,6-tetrasulfooxy-hexan-3-yl) hydrogen sulfate

Systemtic Name: (1-oxidanylidene-2,4,5,6-tetrasulfooxy-hexan-3-yl) hydrogen sulfate Openeye Name: [1-(1,2-disulfooxyethyl)-4-oxo-2,3-disulfooxy-butyl] hydrogen sulfate CAS Name: sulfuric acid (1-oxo-2,4,5,6-tetrasulfooxyhexan-3-yl) ester IUPAC Name: (1-oxo-2,4,5,6-tetrasulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [1-(1,2-disulfoxyethyl)-4-keto-2,3-disulfoxy-butyl] ester Formula: C6H12O21S5 MolecularWeight: 580.47188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O21S5/c7-1-3(24-29(11,12)13)5(26-31(17,18)19)6(27-32(20,21)22)4(25-30(14,15)16)2-23-28(8,9)10/h1,3-6H,2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)(H,20,21,22)