
 CHEMBL55071

 80 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL55071

>  <PubChem CID>
44297477

>  <Formula>
C31H38O9S2

>  <Molecular Weight>
618.756000

>  <IUPAC Name>
2-[2-[2-methoxy-6-propylsulfonyl-4-[(5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethylsulfanyl]phenol

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCCS(=O)(=O)C1=CC(=CC(=C1OCCSC2=CC=CC=C2O)OC)C3CCC(O3)C4=CC(=C(C(=C4)OC)OC)OC

>  <Isomeric SMILES>
CCCS(=O)(=O)C1=CC(=CC(=C1OCCSC2=CC=CC=C2O)OC)C3CC[C@H](O3)C4=CC(=C(C(=C4)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C31H38O9S2/c1-6-15-42(33,34)29-19-21(18-27(37-4)31(29)39-13-14-41-28-10-8-7-9-22(28)32)24-12-11-23(40-24)20-16-25(35-2)30(38-5)26(17-20)36-3/h7-10,16-19,23-24,32H,6,11-15H2,1-5H3/t23-,24?/m0/s1

>  <InChI Key>
FCEOKNAVDRSMLE-UXMRNZNESA-N

