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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17NO2
Molecular Weight 219.2796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-(3,5,5-TRIMETHYL-2-CYCLOHEXENYLIDENE)CYANOACETATE

SMILES

COC(=O)C(\C#N)=C1/CC(C)(C)CC(C)=C1

InChI

InChIKey=QWHZSGVXODTZSW-KHPPLWFESA-N
InChI=1S/C13H17NO2/c1-9-5-10(7-13(2,3)6-9)11(8-14)12(15)16-4/h5H,6-7H2,1-4H3/b11-10-

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ACETIC ACID, CYANO(3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE)-, METHYL ESTER, (E)-
Preferred Name English
METHYL 2-(3,5,5-TRIMETHYL-2-CYCLOHEXENYLIDENE)CYANOACETATE
Systematic Name English
METHYL 2-(3,5,5-TRIMETHYL-2-CYCLOHEXENYLIDENE) CYANOACETATE
Common Name English
Code System Code Type Description
FDA UNII
N9S3RUV23C
Created by admin on Mon Mar 31 18:11:32 GMT 2025 , Edited by admin on Mon Mar 31 18:11:32 GMT 2025
PRIMARY
CAS
78814-22-9
Created by admin on Mon Mar 31 18:11:32 GMT 2025 , Edited by admin on Mon Mar 31 18:11:32 GMT 2025
PRIMARY
PUBCHEM
19871785
Created by admin on Mon Mar 31 18:11:32 GMT 2025 , Edited by admin on Mon Mar 31 18:11:32 GMT 2025
PRIMARY
NIH
NCATS
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