2-(1,2-diphosphonoethylamino)ethyl-methyl-phosphono-(phosphonomethyl)azanium

Systemtic Name: 2-(1,2-diphosphonoethylamino)ethyl-methyl-phosphono-(phosphonomethyl)azanium Openeye Name: 2-(1,2-diphosphonoethylamino)ethyl-methyl-phosphono-(phosphonomethyl)ammonium CAS Name: 2-(1,2-diphosphonoethylamino)ethyl-methyl-phosphono-(phosphonomethyl)ammonium IUPAC Name: 2-(1,2-diphosphonoethylamino)ethyl-methyl-phosphono-(phosphonomethyl)azanium Traditional Name: 2-(1,2-diphosphonoethylamino)ethyl-methyl-phosphono-(phosphonomethyl)ammonium Formula: C6H21N2O12P4+ MolecularWeight: 437.132184

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCNC(CP(=O)(O)O)P(=O)(O)O)(CP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[N+](CCNC(CP(=O)(O)O)P(=O)(O)O)(CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H20N2O12P4/c1-8(24(18,19)20,5-22(12,13)14)3-2-7-6(23(15,16)17)4-21(9,10)11/h6-7H,2-5H2,1H3,(H7-,9,10,11,12,13,14,15,16,17,18,19,20)/p+1