[1,6-bis(oxidanyl)-2,4,5-trisulfooxy-hexan-3-yl] hydrogen sulfate

Systemtic Name: [1,6-bis(oxidanyl)-2,4,5-trisulfooxy-hexan-3-yl] hydrogen sulfate Openeye Name: [5-hydroxy-1-(hydroxymethyl)-2,3,4-trisulfooxy-pentyl] hydrogen sulfate CAS Name: sulfuric acid (1,6-dihydroxy-2,4,5-trisulfooxyhexan-3-yl) ester IUPAC Name: (1,6-dihydroxy-2,4,5-trisulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [4-hydroxy-1-(2-hydroxy-1-sulfoxy-ethyl)-2,3-disulfoxy-butyl] ester Formula: C6H14O18S4 MolecularWeight: 502.42456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O18S4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)6(24-28(18,19)20)4(2-8)22-26(12,13)14/h3-8H,1-2H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)(H,18,19,20)