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

Systemtic Name: (5,6-dinitrooxy-1-phosphono-hexyl)phosphonic acid Openeye Name: (5,6-dinitrooxy-1-phosphono-hexyl)phosphonic acid CAS Name: (5,6-dinitrooxy-1-phosphonohexyl)phosphonic acid IUPAC Name: (5,6-dinitrooxy-1-phosphonohexyl)phosphonic acid Traditional Name: (5,6-dinitrooxy-1-phosphono-hexyl)phosphonic acid Formula: C6H14N2O12P2 MolecularWeight: 368.129082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14N2O12P2/c9-7(10)19-4-5(20-8(11)12)2-1-3-6(21(13,14)15)22(16,17)18/h5-6H,1-4H2,(H2,13,14,15)(H2,16,17,18)