SODIUM M-TOLUENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H7O3S.Na
Molecular Weight	194.183
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC1=CC(=CC=C1)S([O-])(=O)=O

InChI

InChIKey=WGGICLLPYNXXCK-UHFFFAOYSA-M

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

HIDE SMILES / InChI

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 Oct 23	21578433
4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate.	2009 Sep 5	21577810

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:03:11 GMT 2023` Edited by `admin` on `Sat Dec 16 08:03:11 GMT 2023`
Record UNII	AI4D3787YW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM M-TOLUENESULFONATE

Systematic Name

English

SODIUM M-METHYLBENZENESULFONATE

Systematic Name

English

NSC-87346

Code

English

BENZENESULFONIC ACID, 3-METHYL-, SODIUM SALT

Common Name

English

M-TOLUENESULFONIC ACID, SODIUM SALT

Common Name

English

SODIUM 3-METHYLBENZENESULFONATE

Systematic Name

English

SODIUM 3-METHYLPHENYLSULFONATE

Systematic Name

English

SODIUM 3-METHYLBENZENESULFONIC ACID

Systematic Name

English

BENZENESULFONIC ACID, 3-METHYL-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

AI4D3787YW