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

Systemtic Name: [5-acetamido-2,4-bis(oxidanyl)-6-oxidanylidene-1-sulfooxy-hexan-3-yl] hydrogen sulfate Openeye Name: (5-acetamido-2,4-dihydroxy-6-oxo-3-sulfooxy-hexyl) hydrogen sulfate CAS Name: sulfuric acid (5-acetamido-2,4-dihydroxy-6-oxo-1-sulfooxyhexan-3-yl) ester IUPAC Name: (5-acetamido-2,4-dihydroxy-6-oxo-1-sulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (5-acetamido-2,4-dihydroxy-6-keto-3-sulfoxy-hexyl) ester Formula: C8H15NO12S2 MolecularWeight: 381.3342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C=O)C(C(C(COS(=O)(=O)O)O)OS(=O)(=O)O)O

Isomeric SMILES

CC(=O)NC(C=O)C(C(C(COS(=O)(=O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C8H15NO12S2/c1-4(11)9-5(2-10)7(13)8(21-23(17,18)19)6(12)3-20-22(14,15)16/h2,5-8,12-13H,3H2,1H3,(H,9,11)(H,14,15,16)(H,17,18,19)