
 CHEMBL129272

 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL129272

>  <PubChem CID>
11800543

>  <Formula>
C33H30O7

>  <Molecular Weight>
538.596000

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

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

>  <InChI Std. ID>
InChI=1S/C33H30O7/c1-2-21-19-26(22-9-4-3-5-10-22)27(34)20-30(21)39-18-8-17-38-28-15-13-25-32(37)23-11-6-7-12-29(23)40-33(25)24(28)14-16-31(35)36/h3-7,9-13,15,19-20,34H,2,8,14,16-18H2,1H3,(H,35,36)

>  <InChI Key>
AZXAHRBQFLYINX-UHFFFAOYSA-N

