2,4-diphosphono-2-propan-2-yl-pentanedioic acid

Systemtic Name: 2,4-diphosphono-2-propan-2-yl-pentanedioic acid Openeye Name: 2-isopropyl-2,4-diphosphono-pentanedioic acid CAS Name: 2,4-diphosphono-2-propan-2-ylpentanedioic acid IUPAC Name: 2,4-diphosphono-2-propan-2-ylpentanedioic acid Traditional Name: 2-isopropyl-2,4-diphosphono-glutaric acid Formula: C8H16O10P2 MolecularWeight: 334.154162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O10P2/c1-4(2)8(7(11)12,20(16,17)18)3-5(6(9)10)19(13,14)15/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)(H2,13,14,15)(H2,16,17,18)