1,2,4,5-tetracarboxyoxypentan-2-ylphosphonic acid

Systemtic Name: 1,2,4,5-tetracarboxyoxypentan-2-ylphosphonic acid Openeye Name: [1,3,4-tricarboxyoxy-1-(carboxyoxymethyl)butyl]phosphonic acid CAS Name: 1,2,4,5-tetracarboxyoxypentan-2-ylphosphonic acid IUPAC Name: 1,2,4,5-tetracarboxyoxypentan-2-ylphosphonic acid Traditional Name: [1,3,4-tricarboxyoxy-1-(carboxyoxymethyl)butyl]phosphonic acid Formula: C9H13O15P MolecularWeight: 392.164281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(COC(=O)O)OC(=O)O)C(COC(=O)O)(OC(=O)O)P(=O)(O)O

Isomeric SMILES

C(C(COC(=O)O)OC(=O)O)C(COC(=O)O)(OC(=O)O)P(=O)(O)O

InChI

InChI=1S/C9H13O15P/c10-5(11)21-2-4(23-7(14)15)1-9(24-8(16)17,25(18,19)20)3-22-6(12)13/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)(H2,18,19,20)