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41024-91-3 | 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate);
CAS No: 41024-91-3 Catalog No: AG003TKE MDL No:MFCD00012204
Product Description
Catalog Number:
AG003TKE
Chemical Name:
3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate);
CAS Number:
41024-91-3
Molecular Formula:
C24H34O10S2
Molecular Weight:
546.6508
MDL Number:
MFCD00012204
IUPAC Name:
2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C24H34O10S2/c1-21-3-7-23(8-4-21)35(25,26)33-19-17-31-15-13-29-11-12-30-14-16-32-18-20-34-36(27,28)24-9-5-22(2)6-10-24/h3-10H,11-20H2,1-2H3
InChI Key:
BUHGDYPBQWWWQS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
NSC Number:
625453
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.159g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.646g/mol
Monoisotopic Mass:
546.159g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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