2-phosphonoethylphosphonic acid; propane-1,1-diamine

Systemtic Name: 2-phosphonoethylphosphonic acid; propane-1,1-diamine Openeye Name: 2-phosphonoethylphosphonic acid; propane-1,1-diamine CAS Name: 2-phosphonoethylphosphonic acid; propane-1,1-diamine IUPAC Name: 2-phosphonoethylphosphonic acid; propane-1,1-diamine Traditional Name: 1-aminopropylamine; 2-phosphonoethylphosphonic acid Formula: C11H42N2O24P8 MolecularWeight: 834.240268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N)N.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(N)N.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C3H10N2.4C2H8O6P2/c1-2-3(4)5;4*3-9(4,5)1-2-10(6,7)8/h3H,2,4-5H2,1H3;4*1-2H2,(H2,3,4,5)(H2,6,7,8)