2-(4-oxidanylbutyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(4-oxidanylbutyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(4-hydroxybutyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(4-hydroxybutyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(4-hydroxybutyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(4-hydroxybutyl)-2,4-diphosphono-glutaric acid Formula: C9H18O11P2 MolecularWeight: 364.180142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O11P2/c10-4-2-1-3-9(8(13)14,22(18,19)20)5-6(7(11)12)21(15,16)17/h6,10H,1-5H2,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)