94248-79-0 Purity
96%
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The molecular formula of the compound is C11H23NNa4O6P2.
The synonyms of the compound are EINECS 304-357-6 and 94248-82-5.
The molecular weight of the compound is 419.21 g/mol.
The IUPAC name of the compound is tetrasodium;7-methyl-N,N-bis(phosphonatomethyl)octan-1-amine.
The InChI of the compound is InChI=1S/C11H27NO6P2.4Na/c1-11(2)7-5-3-4-6-8-12(9-19(13,14)15)10-20(16,17)18;;;;/h11H,3-10H2,1-2H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4.
The InChIKey of the compound is AGCSDAGAZZEPDF-UHFFFAOYSA-J.
The canonical SMILES of the compound is CC(C)CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].
The CAS number of the compound is 94248-82-5.
The European Community (EC) number of the compound is 304-357-6.
Yes, the compound is canonicalized.