tetraazanium; 2-methylpropanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tetraazanium; 2-methylpropanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tetraammonium 2-methylpropanoate citrate CAS Name: tetraammonium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-methylpropanoate IUPAC Name: tetraazanium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-methylpropanoate Traditional Name: tetraammonium citrate isobutyrate Formula: C10H28N4O9 MolecularWeight: 348.35072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C4H8O2.4H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4(5)6;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,1-2H3,(H,5,6);4*1H3