sodium; 2-acetyloxybenzoic acid; hydrogen carbonate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: sodium; 2-acetyloxybenzoic acid; hydrogen carbonate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: sodium; 2-acetoxybenzoic acid; citric acid; hydrogen carbonate CAS Name: sodium; 2-acetyloxybenzoic acid; hydrogen carbonate; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: sodium; 2-acetyloxybenzoic acid; hydrogen carbonate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: sodium; 2-acetoxybenzoic acid; citric acid; bicarbonate Formula: C16H17NaO14 MolecularWeight: 456.28755

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(=O)(O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(=O)(O)[O-].[Na+]

InChI

InChI=1S/C9H8O4.C6H8O7.CH2O3.Na/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-3(8)1-6(13,5(11)12)2-4(9)10;2-1(3)4;/h2-5H,1H3,(H,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H2,2,3,4);/q;;;+1/p-1