4-phosphonobutylphosphonic acid; propane-1,2-diamine

Systemtic Name: 4-phosphonobutylphosphonic acid; propane-1,2-diamine Openeye Name: 4-phosphonobutylphosphonic acid; propane-1,2-diamine CAS Name: 4-phosphonobutylphosphonic acid; propane-1,2-diamine IUPAC Name: 4-phosphonobutylphosphonic acid; propane-1,2-diamine Traditional Name: (2-amino-1-methyl-ethyl)amine; 4-phosphonobutylphosphonic acid Formula: C7H22N2O6P2 MolecularWeight: 292.206902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)N.C(CCP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

CC(CN)N.C(CCP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C4H12O6P2.C3H10N2/c5-11(6,7)3-1-2-4-12(8,9)10;1-3(5)2-4/h1-4H2,(H2,5,6,7)(H2,8,9,10);3H,2,4-5H2,1H3