calcium; 2-oxidanylidenepropanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: calcium; 2-oxidanylidenepropanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: calcium; citric acid; 2-oxopropanoic acid CAS Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-oxopropanoic acid IUPAC Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-oxopropanoic acid Traditional Name: calcium; citric acid; pyruvic acid Formula: C9H12CaO10+2 MolecularWeight: 320.26358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Ca+2]

Isomeric SMILES

CC(=O)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Ca+2]

InChI

InChI=1S/C6H8O7.C3H4O3.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(4)3(5)6;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,5,6);/q;;+2