Dodecyl Sulfate

Synopsis, Chemistry

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Also known as: Schembl714208

Molecular Formula

C₂₄H₅₀MgO₆S₂

Molecular Weight

523.1 g/mol

InChI Key

ANGQSOHCVRDFPI-UHFFFAOYSA-L

1 2D Structure

Dodecyl Sulfate

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 Formula	C₂₄H₅₀MgO₆S₂
Molecular Weight	523.1 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	20
Exact Mass	522.2899233 g/mol
Monoisotopic Mass	522.2899233 g/mol
Topological Polar Surface Area	131 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3