N'-(2-azanylethyl)ethane-1,2-diamine; 2-phosphonoethylphosphonic acid

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; 2-phosphonoethylphosphonic acid Openeye Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-phosphonoethylphosphonic acid CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-phosphonoethylphosphonic acid IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-phosphonoethylphosphonic acid Traditional Name: bis(2-aminoethyl)amine; 2-phosphonoethylphosphonic acid Formula: C14H53N3O30P10 MolecularWeight: 1053.31033

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Descriptors Computed from Structure

Canonical SMILES:

C(CNCCN)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.C(CP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CNCCN)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.C(CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H13N3.5C2H8O6P2/c5-1-3-7-4-2-6;5*3-9(4,5)1-2-10(6,7)8/h7H,1-6H2;5*1-2H2,(H2,3,4,5)(H2,6,7,8)