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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O3
Molecular Weight 220.2643
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-hexenyl salicylate, trans-

SMILES

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

InChI

InChIKey=DLWPCXLFHSLSMZ-QPJJXVBHSA-N
InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3/b7-4+

HIDE SMILES / InChI

Molecular Formula C13H16O3
Molecular Weight 220.2643
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 Sat Dec 16 09:22:09 GMT 2023
Edited
by admin
on Sat Dec 16 09:22:09 GMT 2023
Record UNII
CZ578DSC7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-hexenyl salicylate, trans-
Common Name English
Benzoic acid, 2-hydroxy-, 2-hexenyl ester, (E)-
Common Name English
hex-2-enyl 2-hydroxybenzoate
Systematic Name English
Benzoic acid, 2-hydroxy-, 2-hexen-1-yl ester
Common Name English
BENZOIC ACID, 2-HYDROXY-, (2E)-2-HEXEN-1-YL ESTER
Common Name English
Trans-2-hexenyl salicylate
Common Name English
2-Hexen-1-yl 2-hydroxybenzoate
Systematic Name English
(2E)-2-Hexen-1-yl 2-hydroxybenzoate
Systematic Name English
[(E)-hex-2-enyl] 2-hydroxybenzoate
Systematic Name English
Code System Code Type Description
FDA UNII
CZ578DSC7J
Created by admin on Sat Dec 16 09:22:09 GMT 2023 , Edited by admin on Sat Dec 16 09:22:09 GMT 2023
PRIMARY
PUBCHEM
6437473
Created by admin on Sat Dec 16 09:22:09 GMT 2023 , Edited by admin on Sat Dec 16 09:22:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID80887179
Created by admin on Sat Dec 16 09:22:09 GMT 2023 , Edited by admin on Sat Dec 16 09:22:09 GMT 2023
PRIMARY
CAS
68133-77-7
Created by admin on Sat Dec 16 09:22:09 GMT 2023 , Edited by admin on Sat Dec 16 09:22:09 GMT 2023
PRIMARY
CAS
190130-88-2
Created by admin on Sat Dec 16 09:22:09 GMT 2023 , Edited by admin on Sat Dec 16 09:22:09 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
268-704-2
Created by admin on Sat Dec 16 09:22:09 GMT 2023 , Edited by admin on Sat Dec 16 09:22:09 GMT 2023
PRIMARY