2,4-diphosphonobutane-1,2,3-tricarboxylic acid

Systemtic Name: 2,4-diphosphonobutane-1,2,3-tricarboxylic acid Openeye Name: 2,4-diphosphonobutane-1,2,3-tricarboxylic acid CAS Name: 2,4-diphosphonobutane-1,2,3-tricarboxylic acid IUPAC Name: 2,4-diphosphonobutane-1,2,3-tricarboxylic acid Traditional Name: 2,4-diphosphonobutane-1,2,3-tricarboxylic acid Formula: C7H12O12P2 MolecularWeight: 350.110502

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)C(CC(=O)O)(C(=O)O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C(C(=O)O)C(CC(=O)O)(C(=O)O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H12O12P2/c8-4(9)1-7(6(12)13,21(17,18)19)3(5(10)11)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)