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

Systemtic Name: [5-azanyl-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl] hydrogen sulfate Openeye Name: [3-amino-1-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-butyl] hydrogen sulfate CAS Name: sulfuric acid (5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl) ester IUPAC Name: (5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [3-amino-1-(1,2-dihydroxyethyl)-2-hydroxy-4-keto-butyl] ester Formula: C6H13NO8S MolecularWeight: 259.23432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO8S/c7-3(1-8)5(11)6(4(10)2-9)15-16(12,13)14/h1,3-6,9-11H,2,7H2,(H,12,13,14)