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3JE

Summary
Name:triphenyl(phenylethynyl)phosphonium
Formula:C26 H20 P
Formal charge:1
Formula weight:363.411 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01triphenyl(phenylethynyl)phosphonium
OpenEye OEToolkits1.7.6triphenyl(2-phenylethynyl)phosphanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4
InChIInChI1.03InChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1
InChIKeyInChI1.03ASHQSKHFJGRKOP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILESCACTVS3.385c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4

224201

PDB entries from 2024-08-28

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