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Basic Information
CAS No.: 51186-33-5
Name: dodecyldimethylsulphonium methyl sulphate
Molecular Structure:
Molecular Structure of 51186-33-5 (dodecyldimethylsulphonium methyl sulphate)
Formula: C15H34O4S2
Molecular Weight: 342.565
Synonyms: Dodecyldimethylsulphonium methyl sulphate;
EINECS: 257-038-8
PSA: 100.11000
LogP: 4.95900
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Specification

The CAS registry number of Dodecyl-dimethyl-sulfanium; sulfonatooxymethane is 51186-33-5. This chemical is also named as AC1MI3C9 and Dodecyldimethylsulphonium methyl sulphate. Its EINECS registry number is 257-038-8. In addition, its molecular formula is C15H34O4S2 and molecular weight is 342.55806. Its IUPAC name is called dodecyl(dimethyl)sulfanium; methyl sulfate.

Properties from structure about Dodecyl-dimethyl-sulfanium; sulfonatooxymethane are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 11; (4)Exact Mass: 342.189851; (5)MonoIsotopic Mass: 342.189851; (6)Topological Polar Surface Area 75.8; (7)Heavy Atom Count: 21; (8)Formal Charge: 0; (9)Complexity: 201; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)OC.[S+](C)(C)CCCCCCCCCCCC
(2)InChI: InChI=1/C14H31S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-5-6(2,3)4/h4-14H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
(3)InChIKey: ODEOTZHRELXGPA-REWHXWOFAP