tetrasodium 3-[methyl(pentyl)amino]-1,1-diphosphonato-propan-1-ol

Systemtic Name: tetrasodium 3-[methyl(pentyl)amino]-1,1-diphosphonato-propan-1-ol Openeye Name: tetrasodium 3-[methyl(pentyl)amino]-1,1-diphosphonato-propan-1-ol CAS Name: tetrasodium 3-[methyl(pentyl)amino]-1,1-diphosphonato-1-propanol IUPAC Name: tetrasodium 3-[methyl(pentyl)amino]-1,1-diphosphonatopropan-1-ol Traditional Name: tetrasodium 3-[amyl(methyl)amino]-1,1-diphosphonato-propan-1-ol Formula: C9H19NNa4O7P2 MolecularWeight: 407.156262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCN(C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C9H23NO7P2.4Na/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4