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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 of SODIUM 2-METHYLBENZENESULFONATE

SMILES

[Na+].CC1=CC=CC=C1S([O-])(=O)=O

InChI

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

HIDE SMILES / InChI
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
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

Approval Year

Unknown
139594
Patents

Patents

JP2000072492A
2
JP2000086482A
2
JP2000154190A
2
JP2000319244A
2
JP2001081052A
2
JP2001502377A
2
JP2002511434A
2
JP2002518388A
3
JP2002540278A
2
JP2003277302A
3
JP2004315789A
3
JP2004518766A
7
JP2004534002A
17
JP2007517905A
2
JP2008024609A
2
JP2008088061A
2
JP2008511621A
8
JP2010086563A
2
JP2011147906A
2
JP2011512369A
8
JP2011524897A
9
JP2011525240A
8
JP2013203708A
2
JP4647187B2
5
JP4745978B2
2
JP4790178B2
7
JPH00841495A
2
JPH01110676A
2
JPH01261359A
5
JPH02120366A
2
JPH02162606A
2
JPH02227461A
2
JPH02256691A
2
JPH02279671A
2
JPH03118354A
2
JPH03123752A
2
JPH03137165A
2
JPH03197443A
2
JPH03291267A
3
JPH0372494A
2
JPH04150976A
2
JPH04234866A
2
JPH05132402A
3
JPH06107979A
2
JPH06172178A
2
JPH06172648A
2
JPH06206919A
2
JPH07233160A
2
JPH07253430A
2
JPH08104667A
2
JPH08188586A
2
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:52 GMT 2023
Record UNII
72Z8U8D5UU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2-METHYLBENZENESULFONATE
Systematic Name English
Code System Code Type Description
FDA UNII
72Z8U8D5UU
Created by admin on Sat Dec 16 08:06:52 GMT 2023 , Edited by admin on Sat Dec 16 08:06:52 GMT 2023
PRIMARY
PUBCHEM
23681382
Created by admin on Sat Dec 16 08:06:52 GMT 2023 , Edited by admin on Sat Dec 16 08:06:52 GMT 2023
PRIMARY
CAS
15046-75-0
Created by admin on Sat Dec 16 08:06:52 GMT 2023 , Edited by admin on Sat Dec 16 08:06:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID2044553
Created by admin on Sat Dec 16 08:06:52 GMT 2023 , Edited by admin on Sat Dec 16 08:06:52 GMT 2023
PRIMARY
Related Record Type Details
Structure of 2-METHYLBENZENESULFONIC ACID
PARENT -> SALT/SOLVATE
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