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

Systemtic Name: calcium; methylcyanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: calcium; citric acid; methylcyanamide CAS Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; methylcyanamide IUPAC Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylic acid; methylcyanamide Traditional Name: calcium; citric acid; methylcyanamide Formula: C8H12CaN2O7 MolecularWeight: 288.26808

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Descriptors Computed from Structure

Canonical SMILES:

CNC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Ca]

Isomeric SMILES

CNC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Ca]

InChI

InChI=1S/C6H8O7.C2H4N2.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-4-2-3;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,1H3;