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122521-52-2 | Benzene, 1,1'-[[(1E)-3-methylene-1-propene-1,3-diyl]bis(sulfonyl)]bis-
CAS No: 122521-52-2 Catalog No: AG0017DK MDL No:
Product Description
Catalog Number:
AG0017DK
Chemical Name:
Benzene, 1,1'-[[(1E)-3-methylene-1-propene-1,3-diyl]bis(sulfonyl)]bis-
CAS Number:
122521-52-2
Molecular Formula:
C16H14O4S2
Molecular Weight:
334.4100
IUPAC Name:
3-(benzenesulfonyl)buta-1,3-dienylsulfonylbenzene
InChI:
InChI=1S/C16H14O4S2/c1-14(22(19,20)16-10-6-3-7-11-16)12-13-21(17,18)15-8-4-2-5-9-15/h2-13H,1H2
InChI Key:
UQOZZLXJCJIYQL-UHFFFAOYSA-N
SMILES:
C=C(S(=O)(=O)c1ccccc1)/C=C/S(=O)(=O)c1ccccc1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.404g/mol
Monoisotopic Mass:
334.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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