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7460-82-4 | Diethylene Glycol Bis(P-Toluenesulfonate)
CAS No: 7460-82-4 Catalog No: AG0034QJ MDL No:MFCD00026001
Product Description
Catalog Number:
AG0034QJ
Chemical Name:
Diethylene Glycol Bis(P-Toluenesulfonate)
CAS Number:
7460-82-4
Molecular Formula:
C18H22O7S2
Molecular Weight:
414.4931
MDL Number:
MFCD00026001
IUPAC Name:
2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C18H22O7S2/c1-15-3-7-17(8-4-15)26(19,20)24-13-11-23-12-14-25-27(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChI Key:
VYVPNTJBGPQTFA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCOCCOS(=O)(=O)c1ccc(cc1)C
NSC Number:
404215
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.081g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.487g/mol
Monoisotopic Mass:
414.081g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 12,12'-[2,2'-Oxybis(ethane-2,1-di-yl)bis-(-oxy)]bis-[(R(p))-4-bromo-[2.2]paracyclo-phane]. | Acta crystallographica. Section E, Structure reports online 20110401 |
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