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Details

Stereochemistry RACEMIC
Molecular Formula C12H18O2
Molecular Weight 194.2701
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL .ALPHA.-SAFRANATE

SMILES

CCOC(=O)C1C(C)=CC=CC1(C)C

InChI

InChIKey=ZANQMOGWQBCGBN-UHFFFAOYSA-N
InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-8,10H,5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ETHYL .ALPHA.-SAFRANATE
Common Name English
ETHYL DEHYDROCYCLOGERANATE
Preferred Name English
ETHYL 2,6,6-TRIMETHYL-2,4-CYCLOHEXADIENE-1-CARBOXYLATE
Systematic Name English
2,6,6-TRIMETHYL-1-ETHOXYCARBONYLCYCLOHEXA-2,4-DIENE
Systematic Name English
2,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 2,6,6-TRIMETHYL-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
252-333-8
Created by admin on Mon Mar 31 23:26:45 GMT 2025 , Edited by admin on Mon Mar 31 23:26:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID7052026
Created by admin on Mon Mar 31 23:26:45 GMT 2025 , Edited by admin on Mon Mar 31 23:26:45 GMT 2025
PRIMARY
CAS
35044-57-6
Created by admin on Mon Mar 31 23:26:45 GMT 2025 , Edited by admin on Mon Mar 31 23:26:45 GMT 2025
PRIMARY
PUBCHEM
118199
Created by admin on Mon Mar 31 23:26:45 GMT 2025 , Edited by admin on Mon Mar 31 23:26:45 GMT 2025
PRIMARY
FDA UNII
1WQ7H1XU14
Created by admin on Mon Mar 31 23:26:45 GMT 2025 , Edited by admin on Mon Mar 31 23:26:45 GMT 2025
PRIMARY
NIH
NCATS
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