[5-acetamido-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl] hydrogen sulfate; sodium

Systemtic Name: [5-acetamido-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl] hydrogen sulfate; sodium Openeye Name: [3-acetamido-1-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-butyl] hydrogen sulfate; sodium CAS Name: sodium; sulfuric acid (5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl) ester IUPAC Name: (5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl) hydrogen sulfate; sodium Traditional Name: sodium; sulfuric acid [3-acetamido-1-(1,2-dihydroxyethyl)-2-hydroxy-4-keto-butyl] ester Formula: C8H15NNaO9S MolecularWeight: 324.26077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C=O)C(C(C(CO)O)OS(=O)(=O)O)O.[Na]

Isomeric SMILES

CC(=O)NC(C=O)C(C(C(CO)O)OS(=O)(=O)O)O.[Na]

InChI

InChI=1S/C8H15NO9S.Na/c1-4(12)9-5(2-10)7(14)8(6(13)3-11)18-19(15,16)17;/h2,5-8,11,13-14H,3H2,1H3,(H,9,12)(H,15,16,17);