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

Systemtic Name: disodium; N'-(2-azanylethyl)ethane-1,2-diamine; phosphonatomethylphosphonic acid Openeye Name: disodium; N'-(2-aminoethyl)ethane-1,2-diamine; phosphonatomethylphosphonic acid CAS Name: disodium; N'-(2-aminoethyl)ethane-1,2-diamine; phosphonatomethylphosphonic acid IUPAC Name: disodium; N'-(2-aminoethyl)ethane-1,2-diamine; phosphonatomethylphosphonic acid Traditional Name: disodium; bis(2-aminoethyl)amine; phosphonatomethylphosphonic acid Formula: C8H29N3Na2O24P8-6 MolecularWeight: 845.091188

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C4H13N3.4CH6O6P2.2Na/c5-1-3-7-4-2-6;4*2-8(3,4)1-9(5,6)7;;/h7H,1-6H2;4*1H2,(H2,2,3,4)(H2,5,6,7);;/q;;;;;2*+1/p-8