pentaazanium 2-oxidanylpropane-1,2,3-tricarboxylate sulfate

Systemtic Name: pentaazanium 2-oxidanylpropane-1,2,3-tricarboxylate sulfate Openeye Name: pentaammonium citrate sulfate CAS Name: pentaammonium 2-hydroxypropane-1,2,3-tricarboxylate sulfate IUPAC Name: pentaazanium 2-hydroxypropane-1,2,3-tricarboxylate sulfate Traditional Name: pentaammonium citrate sulfate Formula: C6H25N5O11S MolecularWeight: 375.3546

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C6H8O7.5H3N.H2O4S/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5*1H3;(H2,1,2,3,4)