M-TOLUENESULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8O3S
Molecular Weight	172.202
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC(=C1)S(O)(=O)=O

InChI

InChIKey=JDQDSEVNMTYMOC-UHFFFAOYSA-N

InChI=1S/C7H8O3S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
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
4-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)ammonio]-3-methyl-benzene-sulfonate.	2009-10-23	21578433
4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate.	2009-09-05	21577810

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:19:29 GMT 2025` Edited by `admin` on `Mon Mar 31 22:19:29 GMT 2025`
Record UNII	07F29K368Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

M-TOLUENESULFONIC ACID

Systematic Name

English

3-METHYLBENZENESULFONIC ACID

Preferred Name

English

TOLUENE-3-SULFONIC ACID

Systematic Name

English

M-METHYLBENZENESULFONIC ACID

Systematic Name

English

BENZENESULFONIC ACID, 3-METHYL-

Systematic Name

English

TOLUENE-M-SULFONIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

07F29K368Y

Created by admin on Mon Mar 31 22:19:29 GMT 2025 , Edited by admin on Mon Mar 31 22:19:29 GMT 2025

PRIMARY

PUBCHEM

105362

Created by admin on Mon Mar 31 22:19:29 GMT 2025 , Edited by admin on Mon Mar 31 22:19:29 GMT 2025

PRIMARY

CAS

617-97-0

Created by admin on Mon Mar 31 22:19:29 GMT 2025 , Edited by admin on Mon Mar 31 22:19:29 GMT 2025

PRIMARY

EPA CompTox

DTXSID50860555

Created by admin on Mon Mar 31 22:19:29 GMT 2025 , Edited by admin on Mon Mar 31 22:19:29 GMT 2025

PRIMARY

Related Record Type Details


					AI4D3787YW

SODIUM M-TOLUENESULFONATE

SALT/SOLVATE -> PARENT