3-HEXENYL SALICYLATE, CIS-

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 3-HEXENYL SALICYLATE, CIS-

Structure Search

SMILES

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

InChI

InChIKey=IEPWIPZLLIOZLU-ONEGZZNKSA-N

InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+

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 `Fri Dec 15 18:53:57 UTC 2023` Edited by `admin` on `Fri Dec 15 18:53:57 UTC 2023`
Record UNII	C78Y9OR6YH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-HEXENYL SALICYLATE, CIS-

Systematic Name

English

3-HEXENYL SALICYLATE, (3Z)-

Common Name

English

CIS-3-HEXENYL SALICYLATE

Systematic Name

English

(3Z)-HEX-3-EN-1-YL SALICYLATE

Systematic Name

English

(Z)-3-HEXENYL SALICYLATE

Systematic Name

English

FEMA NO. 4750

Code

English

3Z-HEXENYL 2-HYDROXYBENZOATE

Systematic Name

English

2-HYDROXYBENZOIC ACID 3Z-HEXENYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

6021887

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY

FDA UNII

C78Y9OR6YH

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY

ECHA (EC/EINECS)

265-745-8

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY

EPA CompTox

DTXSID8037750

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY

RXCUI

2359262

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY

CAS

65405-77-8

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY

DAILYMED

C78Y9OR6YH

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY

SMS_ID

100000175891

Created by admin on Fri Dec 15 18:53:57 UTC 2023 , Edited by admin on Fri Dec 15 18:53:57 UTC 2023

PRIMARY