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

Systemtic Name: 2-[4,7-bis(phosphonomethyl)-1,4,7-triazonan-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid CAS Name: 2-[4,7-bis(phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid Traditional Name: 2-[4,7-bis(phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid Formula: C10H23N3O8P2 MolecularWeight: 375.252442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC(=O)O)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CN(CCN(CCN1CC(=O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C10H23N3O8P2/c14-10(15)7-11-1-3-12(8-22(16,17)18)5-6-13(4-2-11)9-23(19,20)21/h1-9H2,(H,14,15)(H2,16,17,18)(H2,19,20,21)