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Alcoholethoxysulfate (sodium salt)(CAS No. 68585-34-2)

Directory
1. Identification and Related Records
2. Chemical and Physical Properties
Alcoholethoxysulfate (sodium salt) C12H25O.(C2H4O)2.SO3.Na (cas 68585-34-2) Molecular Structure

68585-34-2 Structure

Identification and Related Records

【Name】
Alcoholethoxysulfate (sodium salt)
【Registry number】
68585-34-2 (CAS DataBase Reference)
【Synonyms】
Alcohols, (C10-16), ethoxylated, monoether with sulfuric acid, sodium salts
(C10-C16) Alcohol ethoxylate, sulfated, sodium salt
(C10-C16) Alkyl ethoxylate sulfuric acid, sodium salt
Polyethylene glycol mono-C10-16-alkyl ether sulfate sodium
Poly(oxy-1,2-ethanediyl), α-sulfo-ω-hydroxy-, C10-16-alkyl ethers, sodium salts
Sodium lauryl ether sulfate
【EINECS(EC#)】
209-553-4
【Molecular Formula】
C12H25O.(C2H4O)2.SO3.Na (Products with the same molecular formula)
【Molecular Weight】
376.48
【Inchi】
InChI=1/C12H26O4S.C4H10O.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;1-3-5-4-2;/h2-12H2,1H3,(H,13,14,15);3-4H2,1-2H3;/q;;+1/p-1
【Canonical SMILES】
CCCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO
【MOL File】
68585-34-2.mol

Chemical and Physical Properties

【Computed Properties】
Molecular Weight:489.70878 [g/mol]
Molecular Formula:C25H47NO6S
H-Bond Donor:4
H-Bond Acceptor:7
Rotatable Bond Count:18
Exact Mass:489.312409
MonoIsotopic Mass:489.312409
Topological Polar Surface Area:127
Heavy Atom Count:33
Formal Charge:0
Complexity:434
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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