2,4-diphosphonobutane-1,1,1-tricarboxylic acid

Systemtic Name: 2,4-diphosphonobutane-1,1,1-tricarboxylic acid Openeye Name: 2,4-diphosphonobutane-1,1,1-tricarboxylic acid CAS Name: 2,4-diphosphonobutane-1,1,1-tricarboxylic acid IUPAC Name: 2,4-diphosphonobutane-1,1,1-tricarboxylic acid Traditional Name: 2,4-diphosphonobutane-1,1,1-tricarboxylic acid Formula: C7H12O12P2 MolecularWeight: 350.110502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CP(=O)(O)O)C(C(C(=O)O)(C(=O)O)C(=O)O)P(=O)(O)O

Isomeric SMILES

C(CP(=O)(O)O)C(C(C(=O)O)(C(=O)O)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C7H12O12P2/c8-4(9)7(5(10)11,6(12)13)3(21(17,18)19)1-2-20(14,15)16/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)