ETHYL P-METHYLBENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H12O3S
Molecular Weight	200.255
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL P-METHYLBENZENESULFONATE

Structure Search

SMILES

CCOS(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=VRZVPALEJCLXPR-UHFFFAOYSA-N

InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H12O3S
Molecular Weight	200.255
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Structure-activity considerations and in vitro approaches to assess the genotoxicity of 19 methane-, benzene- and toluenesulfonic acid esters.	2005 Mar 7	15725602
Theory and use of the pseudophase model in gas-liquid chromatographic enantiomeric separations.	2006 Jan 1	16383317

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:44:23 GMT 2023` Edited by `admin` on `Sat Dec 16 03:44:23 GMT 2023`
Record UNII	2160N0YURF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ETHYL P-METHYLBENZENESULFONATE

Common Name

English

4-METHYLBENZENESULFONIC ACID ETHYL ESTER

Systematic Name

English

TOLUENE-4-SULFONIC ACID ETHYL ESTER

Systematic Name

English

P-TOLUENESULFONIC ACID, ETHYL ESTER

Common Name

English

NSC-8887

Code

English

ETHYL P-TOSYLATE

Common Name

English

ETHYL P-TOLUENESULFONATE

Common Name

English

ETHYL 4-TOLUENESULFONATE

Systematic Name

English

ETHYL TOSYLATE

Systematic Name

English

ETHYL P-TOLUENESULFONATE [MI]

Common Name

English

ETHYL 4-METHYLBENZENESULFONATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

6638