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

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; phosphonomethylphosphonic acid Openeye Name: N'-(2-aminoethyl)ethane-1,2-diamine; phosphonomethylphosphonic acid CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; phosphonomethylphosphonic acid IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; phosphonomethylphosphonic acid Traditional Name: bis(2-aminoethyl)amine; phosphonomethylphosphonic acid Formula: C10H49N3O36P12 MolecularWeight: 1159.179692

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Descriptors Computed from Structure

Canonical SMILES:

C(CNCCN)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(CNCCN)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/C4H13N3.6CH6O6P2/c5-1-3-7-4-2-6;6*2-8(3,4)1-9(5,6)7/h7H,1-6H2;6*1H2,(H2,2,3,4)(H2,5,6,7)