
 CHEMBL121565

128127  0  0  0  0  0  0  0  0999 V2000
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M  CHG  4   6   1  33   1  49  -1  50  -1
M  END

>  <Chemical Name>
CHEMBL121565

>  <PubChem CID>
10373001

>  <Formula>
C45H78Cl2OP2

>  <Molecular Weight>
767.966000

>  <IUPAC Name>
tripentyl-[[4-[4-(tripentylphosphaniumylmethyl)benzoyl]phenyl]methyl]phosphanium;dichloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCC[P+](CCCCC)(CCCCC)CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[P+](CCCCC)(CCCCC)CCCCC.[Cl-].[Cl-]

>  <Isomeric SMILES>
CCCCC[P+](CCCCC)(CCCCC)CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[P+](CCCCC)(CCCCC)CCCCC.[Cl-].[Cl-]

>  <InChI Std. ID>
InChI=1S/C45H78OP2.2ClH/c1-7-13-19-33-47(34-20-14-8-2,35-21-15-9-3)39-41-25-29-43(30-26-41)45(46)44-31-27-42(28-32-44)40-48(36-22-16-10-4,37-23-17-11-5)38-24-18-12-6;;/h25-32H,7-24,33-40H2,1-6H3;2*1H/q+2;;/p-2

>  <InChI Key>
BYWNLMALOJBBSF-UHFFFAOYSA-L

