4,7-bis(2-oxidanyl-2-phosphono-ethyl)-1,4,7-triazonane-1-carboxylic acid

Systemtic Name: 4,7-bis(2-oxidanyl-2-phosphono-ethyl)-1,4,7-triazonane-1-carboxylic acid Openeye Name: 4,7-bis(2-hydroxy-2-phosphono-ethyl)-1,4,7-triazonane-1-carboxylic acid CAS Name: 4,7-bis(2-hydroxy-2-phosphonoethyl)-1,4,7-triazonane-1-carboxylic acid IUPAC Name: 4,7-bis(2-hydroxy-2-phosphonoethyl)-1,4,7-triazonane-1-carboxylic acid Traditional Name: 4,7-bis(2-hydroxy-2-phosphono-ethyl)-1,4,7-triazonane-1-carboxylic acid Formula: C11H25N3O10P2 MolecularWeight: 421.277822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC(O)P(=O)(O)O)C(=O)O)CC(O)P(=O)(O)O

Isomeric SMILES

C1CN(CCN(CCN1CC(O)P(=O)(O)O)C(=O)O)CC(O)P(=O)(O)O

InChI

InChI=1S/C11H25N3O10P2/c15-9(25(19,20)21)7-12-1-2-13(8-10(16)26(22,23)24)4-6-14(5-3-12)11(17)18/h9-10,15-16H,1-8H2,(H,17,18)(H2,19,20,21)(H2,22,23,24)