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113396-27-3 | Benzene, 1,3-bis[(3,4-dimethylphenyl)sulfonyl]-
CAS No: 113396-27-3 Catalog No: AG0008F7 MDL No:
Product Description
Catalog Number:
AG0008F7
Chemical Name:
Benzene, 1,3-bis[(3,4-dimethylphenyl)sulfonyl]-
CAS Number:
113396-27-3
Molecular Formula:
C22H22O4S2
Molecular Weight:
414.5377
IUPAC Name:
4-[3-(3,4-dimethylphenyl)sulfonylphenyl]sulfonyl-1,2-dimethylbenzene
InChI:
InChI=1S/C22H22O4S2/c1-15-8-10-21(12-17(15)3)27(23,24)19-6-5-7-20(14-19)28(25,26)22-11-9-16(2)18(4)13-22/h5-14H,1-4H3
InChI Key:
RWWPMVXKYNVNGK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(c(c1)C)C
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.096g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.534g/mol
Monoisotopic Mass:
414.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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