calcium; (Z)-but-2-enedioic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: calcium; (Z)-but-2-enedioic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: calcium; citric acid; maleic acid CAS Name: calcium; (Z)-2-butenedioic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: calcium; (Z)-but-2-enedioic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: calcium; citric acid; maleic acid Formula: C10H12CaO11+2 MolecularWeight: 348.27368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C4H4O4.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2-4(7)8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,(H,5,6)(H,7,8);/q;;+2/b;2-1-;