(5,6-dinitrooxy-1-oxidanyl-1-phosphono-hexyl)phosphonic acid

Systemtic Name: (5,6-dinitrooxy-1-oxidanyl-1-phosphono-hexyl)phosphonic acid Openeye Name: (1-hydroxy-5,6-dinitrooxy-1-phosphono-hexyl)phosphonic acid CAS Name: (1-hydroxy-5,6-dinitrooxy-1-phosphonohexyl)phosphonic acid IUPAC Name: (1-hydroxy-5,6-dinitrooxy-1-phosphonohexyl)phosphonic acid Traditional Name: (1-hydroxy-5,6-dinitrooxy-1-phosphono-hexyl)phosphonic acid Formula: C6H14N2O13P2 MolecularWeight: 384.128482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(CO[N+](=O)[O-])O[N+](=O)[O-])CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CC(CO[N+](=O)[O-])O[N+](=O)[O-])CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H14N2O13P2/c9-6(22(14,15)16,23(17,18)19)3-1-2-5(21-8(12)13)4-20-7(10)11/h5,9H,1-4H2,(H2,14,15,16)(H2,17,18,19)