CALCIUM M-XYLENE-4-SULFONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C8H9O3S.Ca
Molecular Weight	410.519
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM M-XYLENE-4-SULFONATE

Structure Search

SMILES

[Ca++].CC1=CC(C)=C(C=C1)S([O-])(=O)=O.CC2=CC(C)=C(C=C2)S([O-])(=O)=O

InChI

InChIKey=PGHWLAQEFQPJRB-UHFFFAOYSA-L

InChI=1S/2C8H10O3S.Ca/c2*1-6-3-4-8(7(2)5-6)12(9,10)11;/h2*3-5H,1-2H3,(H,9,10,11);/q;;+2/p-2

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CALCIUM M-XYLENE-4-SULFONATE

Systematic Name

English

2,4-XYLENESULFONIC ACID, CALCIUM SALT

Systematic Name

English

NSC-6185

Code

English

BENZENESULFONIC ACID, 2,4-DIMETHYL-, CALCIUM SALT (2:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

18927657

Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023

PRIMARY

NSC

6185

Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023

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CAS

877-20-3

Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023

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FDA UNII

75Z351D5OQ

Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023

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EPA CompTox

DTXSID50713077

Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023

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SUBSTANCE RECORD


					75Z351D5OQ

CALCIUM M-XYLENE-4-SULFONATE