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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C9H24N3O9P3/c13-22(14,15)7-10-1-2-11(8-23(16,17)18)5-6-12(4-3-10)9-24(19,20)21/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)