(1-azanyl-1-oxidanylidene-2,4,5,6-tetrasulfooxy-hexan-3-yl) hydrogen sulfate

Systemtic Name: (1-azanyl-1-oxidanylidene-2,4,5,6-tetrasulfooxy-hexan-3-yl) hydrogen sulfate Openeye Name: [4-amino-1-(1,2-disulfooxyethyl)-4-oxo-2,3-disulfooxy-butyl] hydrogen sulfate CAS Name: sulfuric acid (1-amino-1-oxo-2,4,5,6-tetrasulfooxyhexan-3-yl) ester IUPAC Name: (1-amino-1-oxo-2,4,5,6-tetrasulfooxyhexan-3-yl) hydrogen sulfate Traditional Name: sulfuric acid [4-amino-1-(1,2-disulfoxyethyl)-4-keto-2,3-disulfoxy-butyl] ester Formula: C6H13NO21S5 MolecularWeight: 595.48652

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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)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO21S5/c7-6(8)5(28-33(21,22)23)4(27-32(18,19)20)3(26-31(15,16)17)2(25-30(12,13)14)1-24-29(9,10)11/h2-5H,1H2,(H2,7,8)(H,9,10,11)(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)