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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27NO3
Molecular Weight 341.444
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3,5-DI-T-BUTYL-4-HYDROXYANILINO)BENZOIC ACID

SMILES

CC(C)(C)C1=CC(NC2=CC=CC(=C2)C(O)=O)=CC(=C1O)C(C)(C)C

InChI

InChIKey=DOBUKWPISJBXBD-UHFFFAOYSA-N
InChI=1S/C21H27NO3/c1-20(2,3)16-11-15(12-17(18(16)23)21(4,5)6)22-14-9-7-8-13(10-14)19(24)25/h7-12,22-23H,1-6H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C21H27NO3
Molecular Weight 341.444
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 Fri Dec 15 15:52:10 GMT 2023
Edited
by admin
on Fri Dec 15 15:52:10 GMT 2023
Record UNII
QP7RGXUEUS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3,5-DI-T-BUTYL-4-HYDROXYANILINO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
107738-17-0
Created by admin on Fri Dec 15 15:52:10 GMT 2023 , Edited by admin on Fri Dec 15 15:52:10 GMT 2023
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EPA CompTox
DTXSID20275652
Created by admin on Fri Dec 15 15:52:10 GMT 2023 , Edited by admin on Fri Dec 15 15:52:10 GMT 2023
PRIMARY
PUBCHEM
60194
Created by admin on Fri Dec 15 15:52:10 GMT 2023 , Edited by admin on Fri Dec 15 15:52:10 GMT 2023
PRIMARY
FDA UNII
QP7RGXUEUS
Created by admin on Fri Dec 15 15:52:10 GMT 2023 , Edited by admin on Fri Dec 15 15:52:10 GMT 2023
PRIMARY