1,2,4,5,6-pentaphosphonohexan-3-ylphosphonic acid

Systemtic Name: 1,2,4,5,6-pentaphosphonohexan-3-ylphosphonic acid Openeye Name: [1-(1,2-diphosphonoethyl)-2,3,4-triphosphono-butyl]phosphonic acid CAS Name: 1,2,4,5,6-pentaphosphonohexan-3-ylphosphonic acid IUPAC Name: 1,2,4,5,6-pentaphosphonohexan-3-ylphosphonic acid Traditional Name: [1-(1,2-diphosphonoethyl)-2,3,4-triphosphono-butyl]phosphonic acid Formula: C6H20O18P6 MolecularWeight: 566.054766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(CP(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C(C(C(C(CP(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H20O18P6/c7-25(8,9)1-3(27(13,14)15)5(29(19,20)21)6(30(22,23)24)4(28(16,17)18)2-26(10,11)12/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)