octapotassium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine

Systemtic Name: octapotassium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine Openeye Name: octapotassium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine CAS Name: octapotassium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine IUPAC Name: octapotassium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine Traditional Name: octapotassium 6-[bis(phosphonatomethyl)amino]hexyl-bis(phosphonatomethyl)amine Formula: C10H20K8N2O12P4 MolecularWeight: 796.953444

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

Isomeric SMILES

C(CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C10H28N2O12P4.8K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;/q;8*+1/p-8