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N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine; phosphonomethylphosphonic acid

N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine; phosphonomethylphosphonic acid

Systemtic Name:N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine; phosphonomethylphosphonic acid
Openeye Name:N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; phosphonomethylphosphonic acid
CAS Name:N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; phosphonomethylphosphonic acid
IUPAC Name:N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; phosphonomethylphosphonic acid
Traditional Name:2-aminoethyl-[2-(2-aminoethylamino)ethyl]amine; phosphonomethylphosphonic acid
Formula: C12H54N4O36P12
MolecularWeight: 1202.247492
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Descriptors Computed from Structure

Canonical SMILES:

C(CNCCNCCN)N.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O


Isomeric SMILES

C(CNCCNCCN)N.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O


InChI

InChI=1S/C6H18N4.6CH6O6P2/c7-1-3-9-5-6-10-4-2-8;6*2-8(3,4)1-9(5,6)7/h9-10H,1-8H2;6*1H2,(H2,2,3,4)(H2,5,6,7)


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