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

Systemtic Name: [2-azanyl-5,6-bis(oxidanyl)-1-oxidanylidene-4-sulfooxy-hexan-3-yl] hydrogen sulfate Openeye Name: [3-amino-1-(1,2-dihydroxyethyl)-4-oxo-2-sulfooxy-butyl] hydrogen sulfate CAS Name: sulfuric acid (2-amino-5,6-dihydroxy-1-oxo-4-sulfooxyhexan-3-yl) ester IUPAC Name: (2-amino-5,6-dihydroxy-1-oxo-4-sulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [3-amino-1-(1,2-dihydroxyethyl)-4-keto-2-sulfoxy-butyl] ester Formula: C6H13NO11S2 MolecularWeight: 339.29752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO11S2/c7-3(1-8)5(17-19(11,12)13)6(4(10)2-9)18-20(14,15)16/h1,3-6,9-10H,2,7H2,(H,11,12,13)(H,14,15,16)