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27479-45-4 | Benzenesulfonic acid, dodecyl-, magnesium salt (2:1)
CAS No: 27479-45-4 Catalog No: AG002X7Y MDL No:
Product Description
Catalog Number:
AG002X7Y
Chemical Name:
Benzenesulfonic acid, dodecyl-, magnesium salt (2:1)
CAS Number:
27479-45-4
Molecular Formula:
C36H58MgO6S2
Molecular Weight:
675.2771
IUPAC Name:
dodecyl benzenesulfonate;magnesium
InChI:
InChI=1S/C18H30O3S.Mg/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;/h11-13,15-16H,2-10,14,17H2,1H3;
InChI Key:
QKWVZUIEUOLJKJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].[Mg+2]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.177g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.8g/mol
Monoisotopic Mass:
350.177g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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