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Details

Stereochemistry ACHIRAL
Molecular Formula C17H24O3
Molecular Weight 276.3707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID, (E)-

SMILES

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

InChI

InChIKey=CTYWXRDQWMRIIM-BQYQJAHWSA-N
InChI=1S/C17H24O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h7-10,20H,1-6H3,(H,18,19)/b8-7+

HIDE SMILES / InChI

Molecular Formula C17H24O3
Molecular Weight 276.3707
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:00:43 GMT 2023
Edited
by admin
on Fri Dec 15 19:00:43 GMT 2023
Record UNII
K7ZJ1M9J5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID, (E)-
Common Name English
3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID
Systematic Name English
2-PROPENOIC ACID, 3-(3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)-, (E)-
Common Name English
2-PROPENOIC ACID, 3-(3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)-, (2E)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20241897
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
CAS
95602-92-9
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
FDA UNII
K7ZJ1M9J5T
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY
PUBCHEM
689095
Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023
PRIMARY