(1-azanyl-3-azanylidene-1-phosphono-butyl)phosphonic acid

Systemtic Name: (1-azanyl-3-azanylidene-1-phosphono-butyl)phosphonic acid Openeye Name: (1-amino-3-imino-1-phosphono-butyl)phosphonic acid CAS Name: (1-amino-3-imino-1-phosphonobutyl)phosphonic acid IUPAC Name: (1-amino-3-imino-1-phosphonobutyl)phosphonic acid Traditional Name: (1-amino-3-imino-1-phosphono-butyl)phosphonic acid Formula: C4H12N2O6P2 MolecularWeight: 246.095402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)CC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=N)CC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H12N2O6P2/c1-3(5)2-4(6,13(7,8)9)14(10,11)12/h5H,2,6H2,1H3,(H2,7,8,9)(H2,10,11,12)