ISOBUTYL P-TOLUENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16O3S
Molecular Weight	228.308
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOBUTYL P-TOLUENESULFONATE

Structure Search

SMILES

CC(C)COS(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=QIMRPGAQCKHRKB-UHFFFAOYSA-N

InChI=1S/C11H16O3S/c1-9(2)8-14-15(12,13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H16O3S
Molecular Weight	228.308
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.	2005-03-07	15725602

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:49:51 GMT 2025` Edited by `admin` on `Mon Mar 31 21:49:51 GMT 2025`
Record UNII	CS60887388
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-214493

Preferred Name

English

ISOBUTYL P-TOLUENESULFONATE

Common Name

English

2-METHYLPROPYL 4-METHYLBENZENE-1-SULFONATE

Systematic Name

English

2-METHYLPROPYL 4-METHYLBENZENESULFONATE

Systematic Name

English

ISOPROPYLMETHYL TOSYLATE

Systematic Name

English

P-TOLUENESULFONIC ACID, ISOBUTYL ESTER

Common Name

English

4-METHYLBENZENESULFONIC ACID 2-METHYLPROPYL ESTER

Systematic Name

English

BENZENESULFONIC ACID, 4-METHYL-, 2-METHYLPROPYL ESTER

Systematic Name

English

ISOBUTYL 4-METHYLBENZENESULFONATE

Systematic Name

English

ISOBUTYL TOSYLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

310590