[2-(hydroxymethyl)-3,5,6-trisulfooxy-oxan-4-yl] hydrogen sulfate

Systemtic Name: [2-(hydroxymethyl)-3,5,6-trisulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: [2-(hydroxymethyl)-3,5,6-trisulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(hydroxymethyl)-3,5,6-trisulfooxy-4-oxanyl] ester IUPAC Name: [2-(hydroxymethyl)-3,5,6-trisulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid (2-methylol-3,5,6-trisulfoxy-tetrahydropyran-4-yl) ester Formula: C6H12O18S4 MolecularWeight: 500.40868

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

C(C1C(C(C(C(O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C6H12O18S4/c7-1-2-3(21-25(8,9)10)4(22-26(11,12)13)5(23-27(14,15)16)6(20-2)24-28(17,18)19/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)