(1,2-dicarboxyoxy-2-phosphono-ethyl)phosphonic acid dihydrate

Systemtic Name: (1,2-dicarboxyoxy-2-phosphono-ethyl)phosphonic acid dihydrate Openeye Name: (1,2-dicarboxyoxy-2-phosphono-ethyl)phosphonic acid dihydrate CAS Name: (1,2-dicarboxyoxy-2-phosphonoethyl)phosphonic acid dihydrate IUPAC Name: (1,2-dicarboxyoxy-2-phosphonoethyl)phosphonic acid dihydrate Traditional Name: (1,2-dicarboxyoxy-2-phosphono-ethyl)phosphonic acid dihydrate Formula: C4H12O14P2 MolecularWeight: 346.077202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(OC(=O)O)P(=O)(O)O)(OC(=O)O)P(=O)(O)O.O.O

Isomeric SMILES

C(C(OC(=O)O)P(=O)(O)O)(OC(=O)O)P(=O)(O)O.O.O

InChI

InChI=1S/C4H8O12P2.2H2O/c5-3(6)15-1(17(9,10)11)2(16-4(7)8)18(12,13)14;;/h1-2H,(H,5,6)(H,7,8)(H2,9,10,11)(H2,12,13,14);2*1H2