
 CHEMBL3353744

 71 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3353744

>  <PubChem CID>
118719723

>  <Formula>
C29H33FO7S

>  <Molecular Weight>
544.634000

>  <IUPAC Name>
2-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2-fluorophenoxy]-2-methylpropanoic acid

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC(=C(C=C3)OC(C)(C)C(=O)O)F)C)OCCCS(=O)(=O)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC(=C(C=C3)OC(C)(C)C(=O)O)F)C)OCCCS(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C29H33FO7S/c1-19-14-24(35-12-7-13-38(5,33)34)15-20(2)27(19)22-9-6-8-21(16-22)18-36-23-10-11-26(25(30)17-23)37-29(3,4)28(31)32/h6,8-11,14-17H,7,12-13,18H2,1-5H3,(H,31,32)

>  <InChI Key>
BGXWTSFJQJRSNR-UHFFFAOYSA-N

