[[1,1-diphosphono-3-(phosphonomethylamino)propyl]amino]methylphosphonic acid

Systemtic Name: [[1,1-diphosphono-3-(phosphonomethylamino)propyl]amino]methylphosphonic acid Openeye Name: [[1,1-diphosphono-3-(phosphonomethylamino)propyl]amino]methylphosphonic acid CAS Name: [[1,1-diphosphono-3-(phosphonomethylamino)propyl]amino]methylphosphonic acid IUPAC Name: [[1,1-diphosphono-3-(phosphonomethylamino)propyl]amino]methylphosphonic acid Traditional Name: [[1,1-diphosphono-3-(phosphonomethylamino)propyl]amino]methylphosphonic acid Formula: C5H18N2O12P4 MolecularWeight: 422.097664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H18N2O12P4/c8-20(9,10)3-6-2-1-5(22(14,15)16,23(17,18)19)7-4-21(11,12)13/h6-7H,1-4H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)