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

Systemtic Name: [1,2-bis(oxidanyl)-6-oxidanylidene-4,5-disulfooxy-hexan-3-yl] hydrogen sulfate Openeye Name: [1-(1,2-dihydroxyethyl)-4-oxo-2,3-disulfooxy-butyl] hydrogen sulfate CAS Name: sulfuric acid (1,2-dihydroxy-6-oxo-4,5-disulfooxyhexan-3-yl) ester IUPAC Name: (1,2-dihydroxy-6-oxo-4,5-disulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [1-(1,2-dihydroxyethyl)-4-keto-2,3-disulfoxy-butyl] ester Formula: C6H12O15S3 MolecularWeight: 420.34548

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C6H12O15S3/c7-1-3(9)5(20-23(13,14)15)6(21-24(16,17)18)4(2-8)19-22(10,11)12/h2-7,9H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)