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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18O4
Molecular Weight 250.2903
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-THYMOTIC ACID ACETONYL ESTER

SMILES

CC(C)C1=CC=C(C)C(C(=O)OCC(C)=O)=C1O

InChI

InChIKey=MLESPYABWAITRI-UHFFFAOYSA-N
InChI=1S/C14H18O4/c1-8(2)11-6-5-9(3)12(13(11)16)14(17)18-7-10(4)15/h5-6,8,16H,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C14H18O4
Molecular Weight 250.2903
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 07:51:15 GMT 2023
Edited
by admin
on Sat Dec 16 07:51:15 GMT 2023
Record UNII
3QRX33N65L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-THYMOTIC ACID ACETONYL ESTER
MI  
Common Name English
BENZOIC ACID, 2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-, 2-OXOPROPYL ESTER
Common Name English
O-THYMOTIC ACID ACETONYL ESTER [MI]
Common Name English
O-THYMOTIC ACID, ACETONYL ESTER
Common Name English
2-PROPANONE, 1-HYDROXY-, 3-HYDROXY-P-CYMENE-2-CARBOXYLATE
Common Name English
P-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, ESTER WITH 1-HYDROXY-2-PROPANONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40209030
Created by admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
PRIMARY
PUBCHEM
71586848
Created by admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
PRIMARY
FDA UNII
3QRX33N65L
Created by admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
PRIMARY
MERCK INDEX
m10833
Created by admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
PRIMARY Merck Index
CAS
6028-34-8
Created by admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
PRIMARY