N'-(2-azanylethyl)ethane-1,2-diamine; 1,1,1,5-tetraphosphonopentan-2-ylphosphonic acid

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; 1,1,1,5-tetraphosphonopentan-2-ylphosphonic acid Openeye Name: N'-(2-aminoethyl)ethane-1,2-diamine; [4-phosphono-1-(triphosphonomethyl)butyl]phosphonic acid CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 1,1,1,5-tetraphosphonopentan-2-ylphosphonic acid IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 1,1,1,5-tetraphosphonopentan-2-ylphosphonic acid Traditional Name: bis(2-aminoethyl)amine; [4-phosphono-1-(triphosphonomethyl)butyl]phosphonic acid Formula: C9H30N3O15P5 MolecularWeight: 575.214405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H17O15P5.C4H13N3/c6-21(7,8)3-1-2-4(22(9,10)11)5(23(12,13)14,24(15,16)17)25(18,19)20;5-1-3-7-4-2-6/h4H,1-3H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);7H,1-6H2