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

Systemtic Name: 2-(butoxymethyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(butoxymethyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(butoxymethyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(butoxymethyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(butoxymethyl)-2,4-diphosphono-glutaric acid Formula: C10H20O11P2 MolecularWeight: 378.206722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O11P2/c1-2-3-4-21-6-10(9(13)14,23(18,19)20)5-7(8(11)12)22(15,16)17/h7H,2-6H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)