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22952-14-3 | Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[4-methyl-
CAS No: 22952-14-3 Catalog No: AG002LOF MDL No:
Product Description
Catalog Number:
AG002LOF
Chemical Name:
Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[4-methyl-
CAS Number:
22952-14-3
Molecular Formula:
C16H18O4S2
Molecular Weight:
338.4417
IUPAC Name:
1-methyl-4-[2-(4-methylphenyl)sulfonylethylsulfonyl]benzene
InChI:
InChI=1S/C16H18O4S2/c1-13-3-7-15(8-4-13)21(17,18)11-12-22(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChI Key:
ATPZFDFVYMLXFX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.436g/mol
Monoisotopic Mass:
338.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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