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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O2
Molecular Weight 194.2701
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCOC(=O)C1=C(C)C=CCC1(C)C

InChI

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

HIDE SMILES / InChI

Molecular Formula C12H18O2
Molecular Weight 194.2701
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:09:02 GMT 2023
Edited
by admin
on Sat Dec 16 16:09:02 GMT 2023
Record UNII
FZ10F6BJB5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL .BETA.-SAFRANATE
Common Name English
1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 2,6,6-TRIMETHYL-, ETHYL ESTER
Systematic Name English
ETHYL 2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENE-1-CARBOXYLATE
Systematic Name English
2,6,6-TRIMETHYL-1-(ETHOXYCARBONYL)CYCLOHEXA-1,3-DIENE
Systematic Name English
Code System Code Type Description
CAS
35044-59-8
Created by admin on Sat Dec 16 16:09:02 GMT 2023 , Edited by admin on Sat Dec 16 16:09:02 GMT 2023
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FDA UNII
FZ10F6BJB5
Created by admin on Sat Dec 16 16:09:02 GMT 2023 , Edited by admin on Sat Dec 16 16:09:02 GMT 2023
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PUBCHEM
118201
Created by admin on Sat Dec 16 16:09:02 GMT 2023 , Edited by admin on Sat Dec 16 16:09:02 GMT 2023
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EPA CompTox
DTXSID6067884
Created by admin on Sat Dec 16 16:09:02 GMT 2023 , Edited by admin on Sat Dec 16 16:09:02 GMT 2023
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