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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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