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187727-53-3 | Methanone, bis[4-(hexyloxy)-2-[(phenylsulfonyl)oxy]phenyl]-
CAS No: 187727-53-3 Catalog No: AG002GGJ MDL No:
Product Description
Catalog Number:
AG002GGJ
Chemical Name:
Methanone, bis[4-(hexyloxy)-2-[(phenylsulfonyl)oxy]phenyl]-
CAS Number:
187727-53-3
Molecular Formula:
C37H42O9S2
Molecular Weight:
694.8540
IUPAC Name:
[2-[2-(benzenesulfonyloxy)-4-hexoxybenzoyl]-5-hexoxyphenyl] benzenesulfonate
InChI:
InChI=1S/C37H42O9S2/c1-3-5-7-15-25-43-29-21-23-33(35(27-29)45-47(39,40)31-17-11-9-12-18-31)37(38)34-24-22-30(44-26-16-8-6-4-2)28-36(34)46-48(41,42)32-19-13-10-14-20-32/h9-14,17-24,27-28H,3-8,15-16,25-26H2,1-2H3
InChI Key:
KZTBXBGACIHNLM-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(c(c1)OS(=O)(=O)c1ccccc1)C(=O)c1ccc(cc1OS(=O)(=O)c1ccccc1)OCCCCCC
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
694.227g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
694.854g/mol
Monoisotopic Mass:
694.227g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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