(2-ethyl-1-nitro-2-phosphono-butyl)phosphonic acid

Systemtic Name: (2-ethyl-1-nitro-2-phosphono-butyl)phosphonic acid Openeye Name: (2-ethyl-1-nitro-2-phosphono-butyl)phosphonic acid CAS Name: (2-ethyl-1-nitro-2-phosphonobutyl)phosphonic acid IUPAC Name: (2-ethyl-1-nitro-2-phosphonobutyl)phosphonic acid Traditional Name: (2-ethyl-1-nitro-2-phosphono-butyl)phosphonic acid Formula: C6H15NO8P2 MolecularWeight: 291.132722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H15NO8P2/c1-3-6(4-2,17(13,14)15)5(7(8)9)16(10,11)12/h5H,3-4H2,1-2H3,(H2,10,11,12)(H2,13,14,15)