calcium 2,3-bis(oxidanyl)-3-phosphono-propanoate

Systemtic Name: calcium 2,3-bis(oxidanyl)-3-phosphono-propanoate Openeye Name: calcium 2,3-dihydroxy-3-phosphono-propanoate CAS Name: calcium 2,3-dihydroxy-3-phosphonopropanoate IUPAC Name: calcium 2,3-dihydroxy-3-phosphonopropanoate Traditional Name: calcium 2,3-dihydroxy-3-phosphono-propionate Formula: C6H12CaO14P2 MolecularWeight: 410.176602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(O)P(=O)(O)O)(C(=O)[O-])O.C(C(O)P(=O)(O)O)(C(=O)[O-])O.[Ca+2]

Isomeric SMILES

C(C(O)P(=O)(O)O)(C(=O)[O-])O.C(C(O)P(=O)(O)O)(C(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C3H7O7P.Ca/c2*4-1(2(5)6)3(7)11(8,9)10;/h2*1,3-4,7H,(H,5,6)(H2,8,9,10);/q;;+2/p-2