[1-(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid

Systemtic Name: [1-(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid Openeye Name: [1-(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid CAS Name: [1-(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid IUPAC Name: [1-(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid Traditional Name: [1-(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid Formula: C8H21N3O6P2 MolecularWeight: 317.216362

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(CCN1)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CNCC(N(CCN1)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C8H21N3O6P2/c12-18(13,14)6-8-5-10-2-1-9-3-4-11(8)7-19(15,16)17/h8-10H,1-7H2,(H2,12,13,14)(H2,15,16,17)