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114174-43-5 | Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[4-methoxy- (9CI)
CAS No: 114174-43-5 Catalog No: AG000AQS MDL No:
Product Description
Catalog Number:
AG000AQS
Chemical Name:
Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[4-methoxy- (9CI)
CAS Number:
114174-43-5
Molecular Formula:
C16H18O6S2
Molecular Weight:
370.4405
IUPAC Name:
1-methoxy-4-[2-(4-methoxyphenyl)sulfonylethylsulfonyl]benzene
InChI:
InChI=1S/C16H18O6S2/c1-21-13-3-7-15(8-4-13)23(17,18)11-12-24(19,20)16-9-5-14(22-2)6-10-16/h3-10H,11-12H2,1-2H3
InChI Key:
VYJLGSSTSUJPDR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)CCS(=O)(=O)c1ccc(cc1)OC
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.054g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.434g/mol
Monoisotopic Mass:
370.054g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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