tetrasodium 3-(3-methylpentan-2-yloxy)-N,N-bis(phosphonatomethyl)propan-1-amine

Systemtic Name: tetrasodium 3-(3-methylpentan-2-yloxy)-N,N-bis(phosphonatomethyl)propan-1-amine Openeye Name: tetrasodium 3-(1,2-dimethylbutoxy)-N,N-bis(phosphonatomethyl)propan-1-amine CAS Name: tetrasodium 3-(3-methylpentan-2-yloxy)-N,N-bis(phosphonatomethyl)-1-propanamine IUPAC Name: tetrasodium 3-(3-methylpentan-2-yloxy)-N,N-bis(phosphonatomethyl)propan-1-amine Traditional Name: tetrasodium 3-(1,2-dimethylbutoxy)propyl-bis(phosphonatomethyl)amine Formula: C11H23NNa4O7P2 MolecularWeight: 435.209422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)OCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCC(C)C(C)OCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H27NO7P2.4Na/c1-4-10(2)11(3)19-7-5-6-12(8-20(13,14)15)9-21(16,17)18;;;;/h10-11H,4-9H2,1-3H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4