sodium; 2-azanylethanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid; benzoate

Systemtic Name: sodium; 2-azanylethanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid; benzoate Openeye Name: sodium; 2-aminoacetic acid; citric acid; benzoate CAS Name: sodium; 2-aminoacetic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid; benzoate IUPAC Name: sodium; 2-aminoacetic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid; benzoate Traditional Name: sodium; 2-aminoacetic acid; citric acid; benzoate Formula: C15H18NNaO11 MolecularWeight: 411.29329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)N.[Na+]

InChI

InChI=1S/C7H6O2.C6H8O7.C2H5NO2.Na/c8-7(9)6-4-2-1-3-5-6;7-3(8)1-6(13,5(11)12)2-4(9)10;3-1-2(4)5;/h1-5H,(H,8,9);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1,3H2,(H,4,5);/q;;;+1/p-1