U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H22O3
Molecular Weight 298.3762
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenyl 3,5-diisopropylsalicylate

SMILES

CC(C)C1=CC(C(C)C)=C(O)C(=C1)C(=O)OC2=CC=CC=C2

InChI

InChIKey=YYEAGXUACASJES-UHFFFAOYSA-N
InChI=1S/C19H22O3/c1-12(2)14-10-16(13(3)4)18(20)17(11-14)19(21)22-15-8-6-5-7-9-15/h5-13,20H,1-4H3

HIDE SMILES / InChI

Molecular Formula C19H22O3
Molecular Weight 298.3762
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 12:07:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:07:31 GMT 2023
Record UNII
U57DD99W6G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenyl 3,5-diisopropylsalicylate
Systematic Name English
Phenyl 2-hydroxy-3,5-bis(1-methylethyl)benzoate
Systematic Name English
Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
Systematic Name English
Salicylic acid, 3,5-diisopropyl-, phenyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
U57DD99W6G
Created by admin on Sat Dec 16 12:07:31 GMT 2023 , Edited by admin on Sat Dec 16 12:07:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-913-3
Created by admin on Sat Dec 16 12:07:31 GMT 2023 , Edited by admin on Sat Dec 16 12:07:31 GMT 2023
PRIMARY
PUBCHEM
85622
Created by admin on Sat Dec 16 12:07:31 GMT 2023 , Edited by admin on Sat Dec 16 12:07:31 GMT 2023
PRIMARY
CAS
16881-60-0
Created by admin on Sat Dec 16 12:07:31 GMT 2023 , Edited by admin on Sat Dec 16 12:07:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID60168610
Created by admin on Sat Dec 16 12:07:31 GMT 2023 , Edited by admin on Sat Dec 16 12:07:31 GMT 2023
PRIMARY