93982-16-2 Purity
96%
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Specification
The molecular formula is C26H45NaO3S.
The molecular weight is 460.7 g/mol.
Some synonyms include Sodium octadecylxylenesulphonate, EINECS 301-210-8, and DTXSID70916745.
It was created on August 20, 2009.
The IUPAC name is sodium;1-(4-methylphenyl)nonadecane-1-sulfonate.
The InChI is InChI=1S/C26H46O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30(27,28)29)25-22-20-24(2)21-23-25;/h20-23,26H,3-19H2,1-2H3,(H,27,28,29);/q;+1/p-1.
The Canonical SMILES is CCCCCCCCCCCCCCCCCCC(C1=CC=C(C=C1)C)S(=O)(=O)[O-].[Na+].
The CAS number is 93982-19-5.
It has 3 hydrogen bond acceptor counts.
Yes, the compound is canonicalized in the PubChem database.