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87802-84-4 | Benzene, 1,1'-[(4-phenyl-3-butenylidene)bis(sulfonyl)]bis-
CAS No: 87802-84-4 Catalog No: AG004F7S MDL No:
Product Description
Catalog Number:
AG004F7S
Chemical Name:
Benzene, 1,1'-[(4-phenyl-3-butenylidene)bis(sulfonyl)]bis-
CAS Number:
87802-84-4
Molecular Formula:
C22H20O4S2
Molecular Weight:
412.5218
IUPAC Name:
4,4-bis(benzenesulfonyl)but-1-enylbenzene
InChI:
InChI=1S/C22H20O4S2/c23-27(24,20-14-6-2-7-15-20)22(18-10-13-19-11-4-1-5-12-19)28(25,26)21-16-8-3-9-17-21/h1-17,22H,18H2
InChI Key:
SLQDPNDTLQMNHO-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(S(=O)(=O)c1ccccc1)CC=Cc1ccccc1)c1ccccc1
Properties
Complexity:
647
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:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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