
 CHEMBL1213846

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1213846

>  <PubChem CID>
49863643

>  <Formula>
C27H25ClO6

>  <Molecular Weight>
480.941000

>  <IUPAC Name>
2-[2-[(E)-3-[4-[4-(4-chlorophenoxy)butoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)C(=O)C=CC2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)Cl)OCC(=O)O

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)Cl)OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H25ClO6/c28-21-10-14-23(15-11-21)33-18-4-3-17-32-22-12-7-20(8-13-22)9-16-25(29)24-5-1-2-6-26(24)34-19-27(30)31/h1-2,5-16H,3-4,17-19H2,(H,30,31)/b16-9+

>  <InChI Key>
SFEWGPHCEYARMN-CXUHLZMHSA-N

