hexasodium; 2-oxidanylpropane-1,2,3-tricarboxylate; 2-(trimethylazaniumyl)ethanoate; trichloride

Systemtic Name: hexasodium; 2-oxidanylpropane-1,2,3-tricarboxylate; 2-(trimethylazaniumyl)ethanoate; trichloride Openeye Name: hexasodium 2-(trimethylammonio)acetate trichloride citrate CAS Name: hexasodium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-(trimethylammonio)acetate; trichloride IUPAC Name: hexasodium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-(trimethylazaniumyl)acetate; trichloride Traditional Name: hexasodium 2-(trimethylammonio)acetate trichloride citrate Formula: C21H38Cl3N3Na6O13 MolecularWeight: 784.83634

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)[O-].C[N+](C)(C)CC(=O)[O-].C[N+](C)(C)CC(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[N+](C)(C)CC(=O)[O-].C[N+](C)(C)CC(=O)[O-].C[N+](C)(C)CC(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C6H8O7.3C5H11NO2.3ClH.6Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-6(2,3)4-5(7)8;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*4H2,1-3H3;3*1H;;;;;;/q;;;;;;;6*+1/p-6