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Technical details about Dodecyl Sulfate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Schembl714208
Molecular Formula
C24H50MgO6S2
Molecular Weight
523.1  g/mol
InChI Key
ANGQSOHCVRDFPI-UHFFFAOYSA-L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
magnesium;dodecane-1-sulfonate
2.1.2 InChI
InChI=1S/2C12H26O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2
2.1.3 InChI Key
ANGQSOHCVRDFPI-UHFFFAOYSA-L
2.1.4 Canonical SMILES
CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].[Mg+2]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl714208

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 523.1 g/mol
Molecular Formula C24H50MgO6S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Exact Mass522.2899233 g/mol
Monoisotopic Mass522.2899233 g/mol
Topological Polar Surface Area131 Ų
Heavy Atom Count33
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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