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Details

Stereochemistry RACEMIC
Molecular Formula C26H29N3
Molecular Weight 383.5286
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-Bis[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile

SMILES

CC1=CC(=CC(CC(C)(C#N)C2=CC(C)=CC(=C2)C(C)(C)C#N)=C1)C(C)(C)C#N

InChI

InChIKey=DSWIROKRYFYWHD-UHFFFAOYSA-N
InChI=1S/C26H29N3/c1-18-8-20(12-21(9-18)24(3,4)15-27)14-26(7,17-29)23-11-19(2)10-22(13-23)25(5,6)16-28/h8-13H,14H2,1-7H3

HIDE SMILES / InChI

Molecular Formula C26H29N3
Molecular Weight 383.5286
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:36:08 GMT 2025
Edited
by admin
on Wed Apr 02 17:36:08 GMT 2025
Record UNII
PW73D8X99V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-Bis[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile
Systematic Name English
1,3-Benzenediacetonitrile, ?<sup>1</sup>-[[3-(1-cyano-1-methylethyl)-5-methylphenyl]methyl]-?<sup>1</sup>,?<sup>3</sup>,?<sup>3</sup>,5-tetramethyl-
Preferred Name English
?<sup>1</sup>-[[3-(1-Cyano-1-methylethyl)-5-methylphenyl]methyl]-?<sup>1</sup>-,?<sup>3</sup>-,?<sup>3</sup>-,5-tetramethyl-1,3-benzenediacetonitrile
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80581004
Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025
PRIMARY
FDA UNII
PW73D8X99V
Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025
PRIMARY
PUBCHEM
16005483
Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025
PRIMARY
CAS
918312-71-7
Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025
PRIMARY