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87802-83-3 | Benzene, 1,1'-[(2-phenyl-3-butenylidene)bis(sulfonyl)]bis-
CAS No: 87802-83-3 Catalog No: AG004K4Y MDL No:
Product Description
Catalog Number:
AG004K4Y
Chemical Name:
Benzene, 1,1'-[(2-phenyl-3-butenylidene)bis(sulfonyl)]bis-
CAS Number:
87802-83-3
Molecular Formula:
C22H20O4S2
Molecular Weight:
412.5218
IUPAC Name:
1,1-bis(benzenesulfonyl)but-3-en-2-ylbenzene
InChI:
InChI=1S/C22H20O4S2/c1-2-21(18-12-6-3-7-13-18)22(27(23,24)19-14-8-4-9-15-19)28(25,26)20-16-10-5-11-17-20/h2-17,21-22H,1H2
InChI Key:
GUBRMLBRLAFDHG-UHFFFAOYSA-N
SMILES:
C=CC(C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.08g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.518g/mol
Monoisotopic Mass:
412.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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