1-(diphosphonoamino)hexan-2-ylphosphonic acid

Systemtic Name: 1-(diphosphonoamino)hexan-2-ylphosphonic acid Openeye Name: 1-[(diphosphonoamino)methyl]pentylphosphonic acid CAS Name: 1-(diphosphonoamino)hexan-2-ylphosphonic acid IUPAC Name: 1-(diphosphonoamino)hexan-2-ylphosphonic acid Traditional Name: 1-[(diphosphonoamino)methyl]pentylphosphonic acid Formula: C6H18NO9P3 MolecularWeight: 341.129703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(CN(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H18NO9P3/c1-2-3-4-6(17(8,9)10)5-7(18(11,12)13)19(14,15)16/h6H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)