[[1,1-diphosphono-2-(phosphonomethylamino)ethyl]amino]methylphosphonic acid

Systemtic Name: [[1,1-diphosphono-2-(phosphonomethylamino)ethyl]amino]methylphosphonic acid Openeye Name: [[1,1-diphosphono-2-(phosphonomethylamino)ethyl]amino]methylphosphonic acid CAS Name: [[1,1-diphosphono-2-(phosphonomethylamino)ethyl]amino]methylphosphonic acid IUPAC Name: [[1,1-diphosphono-2-(phosphonomethylamino)ethyl]amino]methylphosphonic acid Traditional Name: [[1,1-diphosphono-2-(phosphonomethylamino)ethyl]amino]methylphosphonic acid Formula: C4H16N2O12P4 MolecularWeight: 408.071084

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Descriptors Computed from Structure

Canonical SMILES:

C(C(NCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)NCP(=O)(O)O

Isomeric SMILES

C(C(NCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)NCP(=O)(O)O

InChI

InChI=1S/C4H16N2O12P4/c7-19(8,9)2-5-1-4(21(13,14)15,22(16,17)18)6-3-20(10,11)12/h5-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)