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88073-45-4 | Benzene, 1,1'-[(5-methoxypentylidene)bis(sulfonyl)]bis-
CAS No: 88073-45-4 Catalog No: AG004HQ5 MDL No:
Product Description
Catalog Number:
AG004HQ5
Chemical Name:
Benzene, 1,1'-[(5-methoxypentylidene)bis(sulfonyl)]bis-
CAS Number:
88073-45-4
Molecular Formula:
C18H22O5S2
Molecular Weight:
382.4943
IUPAC Name:
[1-(benzenesulfonyl)-5-methoxypentyl]sulfonylbenzene
InChI:
InChI=1S/C18H22O5S2/c1-23-15-9-8-14-18(24(19,20)16-10-4-2-5-11-16)25(21,22)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3
InChI Key:
GKVTVEBGMTWAHD-UHFFFAOYSA-N
SMILES:
COCCCCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.489g/mol
Monoisotopic Mass:
382.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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