1,4,7-triphosphonoheptan-4-ylphosphonic acid

Systemtic Name: 1,4,7-triphosphonoheptan-4-ylphosphonic acid Openeye Name: [1,4-diphosphono-1-(3-phosphonopropyl)butyl]phosphonic acid CAS Name: 1,4,7-triphosphonoheptan-4-ylphosphonic acid IUPAC Name: 1,4,7-triphosphonoheptan-4-ylphosphonic acid Traditional Name: [1,4-diphosphono-1-(3-phosphonopropyl)butyl]phosphonic acid Formula: C7H20O12P4 MolecularWeight: 420.121544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(CCCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C(CC(CCCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C7H20O12P4/c8-20(9,10)5-1-3-7(22(14,15)16,23(17,18)19)4-2-6-21(11,12)13/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)