94107-55-8 Purity
96%
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Specification
The molecular formula is C17H35NaO6S.
It was created on 2008-02-05 and modified on 2023-12-30.
Some synonyms include Sodium 2-(2-(tridecyloxy)ethoxy)ethyl sulphate, 94107-61-6, and SODIUM 2-[2-(TRIDECYLOXY)ETHOXY]ETHYL SULFATE.
The molecular weight is 390.5 g/mol.
The IUPAC name is sodium;2-(2-tridecoxyethoxy)ethyl sulfate.
The Canonical SMILES is CCCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+].
The InChIKey is FDFQLLWHNQBFIV-UHFFFAOYSA-M.
It has 6 hydrogen bond acceptors.
The topological polar surface area is 93.3 Å2.
Yes, the compound is canonicalized.