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

Systemtic Name: [1,2-bis(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid Openeye Name: [1,2-bis(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid CAS Name: [1,2-bis(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid IUPAC Name: [1,2-bis(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid Traditional Name: [1,2-bis(phosphonomethyl)-1,4,7-triazonan-2-yl]methylphosphonic acid Formula: C9H24N3O9P3 MolecularWeight: 411.222843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H24N3O9P3/c13-22(14,15)6-9(7-23(16,17)18)5-11-2-1-10-3-4-12(9)8-24(19,20)21/h10-11H,1-8H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)