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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6NO5S.Na
Molecular Weight 239.181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt

SMILES

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

InChI

InChIKey=DAKNGKGXAIKYKW-UHFFFAOYSA-M
InChI=1S/C7H7NO5S.Na/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;/h2-4H,1H3,(H,11,12,13);/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 C7H6NO5S
Molecular Weight 216.191
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Concentrating versus non-concentrating reactors for solar photocatalytic degradation of p-nitrotoluene-o-sulfonic acid.
2001
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:27:04 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:04 GMT 2023
Record UNII
MAZ3CV4QXW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt
Common Name English
Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4063743
Created by admin on Sat Dec 16 12:27:04 GMT 2023 , Edited by admin on Sat Dec 16 12:27:04 GMT 2023
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FDA UNII
MAZ3CV4QXW
Created by admin on Sat Dec 16 12:27:04 GMT 2023 , Edited by admin on Sat Dec 16 12:27:04 GMT 2023
PRIMARY
CAS
5258-64-0
Created by admin on Sat Dec 16 12:27:04 GMT 2023 , Edited by admin on Sat Dec 16 12:27:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-062-0
Created by admin on Sat Dec 16 12:27:04 GMT 2023 , Edited by admin on Sat Dec 16 12:27:04 GMT 2023
PRIMARY
PUBCHEM
21329
Created by admin on Sat Dec 16 12:27:04 GMT 2023 , Edited by admin on Sat Dec 16 12:27:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE