
 CHEMBL129463

 70 74  0  0  0  0  0  0  0  0999 V2000
    2.1075   -0.3356   -2.9133 C   0  0  0  0  0
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   -8.7109   -2.0378    6.9334 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL129463

>  <PubChem CID>
9807782

>  <Formula>
C33H29FO7

>  <Molecular Weight>
556.586000

>  <IUPAC Name>
3-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-9-oxoxanthen-4-yl]propanoic acid

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCOC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5O4)CCC(=O)O

>  <Isomeric SMILES>
CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCOC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5O4)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C33H29FO7/c1-2-20-18-26(21-8-10-22(34)11-9-21)27(35)19-30(20)40-17-5-16-39-28-14-12-25-32(38)23-6-3-4-7-29(23)41-33(25)24(28)13-15-31(36)37/h3-4,6-12,14,18-19,35H,2,5,13,15-17H2,1H3,(H,36,37)

>  <InChI Key>
AGHWHQVSFVVCAO-UHFFFAOYSA-N

