[1,4-bis(azanyl)-1,4,4-triphosphono-butyl]phosphonic acid

Systemtic Name: [1,4-bis(azanyl)-1,4,4-triphosphono-butyl]phosphonic acid Openeye Name: (1,4-diamino-1,4,4-triphosphono-butyl)phosphonic acid CAS Name: (1,4-diamino-1,4,4-triphosphonobutyl)phosphonic acid IUPAC Name: (1,4-diamino-1,4,4-triphosphonobutyl)phosphonic acid Traditional Name: (1,4-diamino-1,4,4-triphosphono-butyl)phosphonic acid Formula: C4H16N2O12P4 MolecularWeight: 408.071084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H16N2O12P4/c5-3(19(7,8)9,20(10,11)12)1-2-4(6,21(13,14)15)22(16,17)18/h1-2,5-6H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)