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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO5S
Molecular Weight 217.199
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-4-NITROBENZENESULFONIC ACID

SMILES

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

InChI

InChIKey=XCSZUHHAYFILGO-UHFFFAOYSA-N
InChI=1S/C7H7NO5S/c1-5-4-6(8(9)10)2-3-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C7H7NO5S
Molecular Weight 217.199
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:52:18 GMT 2025
Edited
by admin
on Mon Mar 31 20:52:18 GMT 2025
Record UNII
3XXB406HA9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-TOLUENESULFONIC ACID, 4-NITRO-
Preferred Name English
2-METHYL-4-NITROBENZENESULFONIC ACID
Systematic Name English
3-NITROTOLUENE-6-SULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, 2-METHYL-4-NITRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90276131
Created by admin on Mon Mar 31 20:52:18 GMT 2025 , Edited by admin on Mon Mar 31 20:52:18 GMT 2025
PRIMARY
CAS
7434-70-0
Created by admin on Mon Mar 31 20:52:18 GMT 2025 , Edited by admin on Mon Mar 31 20:52:18 GMT 2025
PRIMARY
PUBCHEM
113323
Created by admin on Mon Mar 31 20:52:18 GMT 2025 , Edited by admin on Mon Mar 31 20:52:18 GMT 2025
PRIMARY
FDA UNII
3XXB406HA9
Created by admin on Mon Mar 31 20:52:18 GMT 2025 , Edited by admin on Mon Mar 31 20:52:18 GMT 2025
PRIMARY