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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H16O4
Molecular Weight 260.2851
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Hexadien-1-yl 2-(acetyloxy)benzoate, (2E,4E)-

SMILES

C\C=C\C=C\COC(=O)C1=C(OC(C)=O)C=CC=C1

InChI

InChIKey=YVWHSRIBNNJSHL-SALQQRKASA-N
InChI=1S/C15H16O4/c1-3-4-5-8-11-18-15(17)13-9-6-7-10-14(13)19-12(2)16/h3-10H,11H2,1-2H3/b4-3+,8-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
2,4-Hexadien-1-yl 2-(acetyloxy)benzoate, (2E,4E)-
Systematic Name English
(2E,4E)-2,4-Hexadien-1-yl 2-(acetyloxy)benzoate
Preferred Name English
2,4-HEXADIENYL-ORTHO-ACETYLSALICYLATE
Systematic Name English
Benzoic acid, 2-(acetyloxy)-, (2E,4E)-2,4-hexadien-1-yl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
49780339
Created by admin on Mon Mar 31 17:56:49 GMT 2025 , Edited by admin on Mon Mar 31 17:56:49 GMT 2025
PRIMARY
FDA UNII
E3Z33S636T
Created by admin on Mon Mar 31 17:56:49 GMT 2025 , Edited by admin on Mon Mar 31 17:56:49 GMT 2025
PRIMARY
CAS
1251105-56-2
Created by admin on Mon Mar 31 17:56:49 GMT 2025 , Edited by admin on Mon Mar 31 17:56:49 GMT 2025
PRIMARY