Octadecyl 2-[[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]acetate

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H50O3S
Molecular Weight	478.77
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Octadecyl 2-[[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]acetate

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=CC(C)=C(O)C(C)=C1

InChI

InChIKey=IXVLEAZXSJJKFR-UHFFFAOYSA-N

InChI=1S/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-28(30)24-33-23-27-21-25(2)29(31)26(3)22-27/h21-22,31H,4-20,23-24H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C29H50O3S
Molecular Weight	478.77
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 12:27:23 GMT 2023` Edited by `admin` on `Sat Dec 16 12:27:23 GMT 2023`
Record UNII	2GGP4WE4TY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Octadecyl 2-[[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]acetate

Systematic Name

English

Acetic acid, 2-[[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]-, octadecyl ester

Systematic Name

English

Code System Code Type Description

CAS

16545-53-2

Created by admin on Sat Dec 16 12:27:23 GMT 2023 , Edited by admin on Sat Dec 16 12:27:23 GMT 2023

PRIMARY

ECHA (EC/EINECS)

240-612-7

Created by admin on Sat Dec 16 12:27:23 GMT 2023 , Edited by admin on Sat Dec 16 12:27:23 GMT 2023

PRIMARY

FDA UNII

2GGP4WE4TY

Created by admin on Sat Dec 16 12:27:23 GMT 2023 , Edited by admin on Sat Dec 16 12:27:23 GMT 2023

PRIMARY

PUBCHEM

85488

Created by admin on Sat Dec 16 12:27:23 GMT 2023 , Edited by admin on Sat Dec 16 12:27:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID80167948

Created by admin on Sat Dec 16 12:27:23 GMT 2023 , Edited by admin on Sat Dec 16 12:27:23 GMT 2023

PRIMARY