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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 68585-34-2, Disodium;1-dodecoxydodecane;sulfate, 1335-72-4, Sodiumlaurylethersulfate, Ft-0775147

Molecular Formula

C₂₄H₅₀Na₂O₅S

Molecular Weight

496.7 g/mol

InChI Key

SMVRDGHCVNAOIN-UHFFFAOYSA-L

1 2D Structure

Sodium Lauryl Ether Sulfate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;1-dodecoxydodecane;sulfate

2.1.2 InChI

InChI=1S/C24H50O.2Na.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h3-24H2,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2

2.1.3 InChI Key

SMVRDGHCVNAOIN-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CCCCCCCCCCCCOCCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[Na+].[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 68585-34-2

2. Disodium;1-dodecoxydodecane;sulfate

3. 1335-72-4

4. Sodiumlaurylethersulfate

5. Ft-0775147

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₅₀Na₂O₅S
Molecular Weight	496.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	22
Exact Mass	496.31743443 g/mol
Monoisotopic Mass	496.31743443 g/mol
Topological Polar Surface Area	97.9 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	254
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	4