1,2,4,5,6-pentasulfooxyhexan-3-yl hydrogen sulfate

Systemtic Name: 1,2,4,5,6-pentasulfooxyhexan-3-yl hydrogen sulfate Openeye Name: [1-(1,2-disulfooxyethyl)-2,3,4-trisulfooxy-butyl] hydrogen sulfate CAS Name: sulfuric acid 1,2,4,5,6-pentasulfooxyhexan-3-yl ester IUPAC Name: 1,2,4,5,6-pentasulfooxyhexan-3-yl hydrogen sulfate Traditional Name: sulfuric acid [1-(1,2-disulfoxyethyl)-2,3,4-trisulfoxy-butyl] ester Formula: C6H14O24S6 MolecularWeight: 662.55096

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C6H14O24S6/c7-31(8,9)25-1-3(27-33(13,14)15)5(29-35(19,20)21)6(30-36(22,23)24)4(28-34(16,17)18)2-26-32(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)