N1'-(1,5-diphosphonatopentyl)ethane-1,1,2-triamine

Systemtic Name: N1'-(1,5-diphosphonatopentyl)ethane-1,1,2-triamine Openeye Name: N1'-(1,5-diphosphonatopentyl)ethane-1,1,2-triamine CAS Name: N1'-(1,5-diphosphonatopentyl)ethane-1,1,2-triamine IUPAC Name: 1-N'-(1,5-diphosphonatopentyl)ethane-1,1,2-triamine Traditional Name: 1,2-diaminoethyl(1,5-diphosphonatopentyl)amine Formula: C7H17N3O6P2-4 MolecularWeight: 301.173902

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Descriptors Computed from Structure

Canonical SMILES:

C(CCP(=O)([O-])[O-])CC(NC(CN)N)P(=O)([O-])[O-]

Isomeric SMILES

C(CCP(=O)([O-])[O-])CC(NC(CN)N)P(=O)([O-])[O-]

InChI

InChI=1S/C7H21N3O6P2/c8-5-6(9)10-7(18(14,15)16)3-1-2-4-17(11,12)13/h6-7,10H,1-5,8-9H2,(H2,11,12,13)(H2,14,15,16)/p-4