tetrasodium N'-[2-(1,5-diphosphonatopentylamino)ethyl]ethane-1,2-diamine

Systemtic Name: tetrasodium N'-[2-(1,5-diphosphonatopentylamino)ethyl]ethane-1,2-diamine Openeye Name: tetrasodium N'-[2-(1,5-diphosphonatopentylamino)ethyl]ethane-1,2-diamine CAS Name: tetrasodium N'-[2-(1,5-diphosphonatopentylamino)ethyl]ethane-1,2-diamine IUPAC Name: tetrasodium N'-[2-(1,5-diphosphonatopentylamino)ethyl]ethane-1,2-diamine Traditional Name: tetrasodium 2-aminoethyl-[2-(1,5-diphosphonatopentylamino)ethyl]amine Formula: C9H21N3Na4O6P2 MolecularWeight: 421.186142

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Descriptors Computed from Structure

Canonical SMILES:

C(CCP(=O)([O-])[O-])CC(NCCNCCN)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CCP(=O)([O-])[O-])CC(NCCNCCN)P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C9H25N3O6P2.4Na/c10-4-5-11-6-7-12-9(20(16,17)18)3-1-2-8-19(13,14)15;;;;/h9,11-12H,1-8,10H2,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4