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100780-24-3 | Benzene, 1,1'-[3-butenylidenebis(sulfonyl)]bis- (9CI)
CAS No: 100780-24-3 Catalog No: AG0002VA MDL No:
Product Description
Catalog Number:
AG0002VA
Chemical Name:
Benzene, 1,1'-[3-butenylidenebis(sulfonyl)]bis- (9CI)
CAS Number:
100780-24-3
Molecular Formula:
C16H16O4S2
Molecular Weight:
336.4258
IUPAC Name:
1-(benzenesulfonyl)but-3-enylsulfonylbenzene
InChI:
InChI=1S/C16H16O4S2/c1-2-9-16(21(17,18)14-10-5-3-6-11-14)22(19,20)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2
InChI Key:
GFOCBTRDQSQPQO-UHFFFAOYSA-N
SMILES:
C=CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.42g/mol
Monoisotopic Mass:
336.049g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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