(4-cyano-1-phosphono-butan-2-yl)phosphonic acid

Systemtic Name: (4-cyano-1-phosphono-butan-2-yl)phosphonic acid Openeye Name: (4-cyano-2-phosphono-butyl)phosphonic acid CAS Name: (4-cyano-1-phosphonobutan-2-yl)phosphonic acid IUPAC Name: (4-cyano-1-phosphonobutan-2-yl)phosphonic acid Traditional Name: (4-cyano-2-phosphono-butyl)phosphonic acid Formula: C5H11NO6P2 MolecularWeight: 243.091462

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CP(=O)(O)O)P(=O)(O)O)C#N

Isomeric SMILES

C(CC(CP(=O)(O)O)P(=O)(O)O)C#N

InChI

InChI=1S/C5H11NO6P2/c6-3-1-2-5(14(10,11)12)4-13(7,8)9/h5H,1-2,4H2,(H2,7,8,9)(H2,10,11,12)