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

Systemtic Name: 2-[1,4-bis(phosphonomethyl)-1,4,7-triazonan-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1,4-bis(phosphonomethyl)-1,4,7-triazonan-1-ium-1-yl]acetic acid CAS Name: 2-[1,4-bis(phosphonomethyl)-1,4,7-triazonan-1-ium-1-yl]acetic acid IUPAC Name: 2-[1,4-bis(phosphonomethyl)-1,4,7-triazonan-1-ium-1-yl]acetic acid Traditional Name: 2-[1,4-bis(phosphonomethyl)-1,4,7-triazonan-1-ium-1-yl]acetic acid Formula: C10H24N3O8P2+ MolecularWeight: 376.260382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[N+](CCN1)(CC(=O)O)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CN(CC[N+](CCN1)(CC(=O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C10H23N3O8P2/c14-10(15)7-13(9-23(19,20)21)5-2-11-1-3-12(4-6-13)8-22(16,17)18/h11H,1-9H2,(H4-,14,15,16,17,18,19,20,21)/p+1