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

Systemtic Name: (1-oxidanyl-6-oxidanylidene-2,4,5-trisulfooxy-hexan-3-yl) hydrogen sulfate Openeye Name: (1-formyl-5-hydroxy-2,3,4-trisulfooxy-pentyl) hydrogen sulfate CAS Name: sulfuric acid (1-hydroxy-6-oxo-2,4,5-trisulfooxyhexan-3-yl) ester IUPAC Name: (1-hydroxy-6-oxo-2,4,5-trisulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (1-formyl-5-hydroxy-2,3,4-trisulfoxy-pentyl) ester Formula: C6H12O18S4 MolecularWeight: 500.40868

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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)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)O

InChI

InChI=1S/C6H12O18S4/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/h1,3-6,8H,2H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)(H,18,19,20)