PENTYL 3,5,6-TRICHLOROSALICYLATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13Cl3O3
Molecular Weight	311.589
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTYL 3,5,6-TRICHLOROSALICYLATE

Structure Search

SMILES

CCCCCOC(=O)C1=C(O)C(Cl)=CC(Cl)=C1Cl

InChI

InChIKey=LSJXFRHMMURWFI-UHFFFAOYSA-N

InChI=1S/C12H13Cl3O3/c1-2-3-4-5-18-12(17)9-10(15)7(13)6-8(14)11(9)16/h6,16H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H13Cl3O3
Molecular Weight	311.589
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 `Tue Apr 01 17:46:25 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:25 GMT 2025`
Record UNII	KX7ZKC555Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOIC ACID, 2,3,5-TRICHLORO-6-HYDROXY-, PENTYL ESTER

Preferred Name

English

PENTYL 3,5,6-TRICHLOROSALICYLATE

Systematic Name

English

PENTYL 2,3,5-TRICHLORO-6-HYDROXYBENZOATE

Systematic Name

English

Code System Code Type Description

CAS

30431-53-9

Created by admin on Tue Apr 01 17:46:25 GMT 2025 , Edited by admin on Tue Apr 01 17:46:25 GMT 2025

PRIMARY

FDA UNII

KX7ZKC555Y

Created by admin on Tue Apr 01 17:46:25 GMT 2025 , Edited by admin on Tue Apr 01 17:46:25 GMT 2025

PRIMARY

EPA CompTox

DTXSID5067558

Created by admin on Tue Apr 01 17:46:25 GMT 2025 , Edited by admin on Tue Apr 01 17:46:25 GMT 2025

PRIMARY

ECHA (EC/EINECS)

250-194-8

Created by admin on Tue Apr 01 17:46:25 GMT 2025 , Edited by admin on Tue Apr 01 17:46:25 GMT 2025

PRIMARY

PUBCHEM

94412

Created by admin on Tue Apr 01 17:46:25 GMT 2025 , Edited by admin on Tue Apr 01 17:46:25 GMT 2025

PRIMARY