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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O3S
Molecular Weight 236.287
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,7-DIMETHYL-1-NAPHTHALENESULFONIC ACID

SMILES

CC1=C(C)C=C2C(C=CC=C2S(O)(=O)=O)=C1

InChI

InChIKey=SIMLOJYCNCJIPF-UHFFFAOYSA-N
InChI=1S/C12H12O3S/c1-8-6-10-4-3-5-12(16(13,14)15)11(10)7-9(8)2/h3-7H,1-2H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C12H12O3S
Molecular Weight 236.287
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 23:27:24 GMT 2025
Edited
by admin
on Mon Mar 31 23:27:24 GMT 2025
Record UNII
VO06902FT8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,7-DIMETHYL-1-NAPHTHALENESULFONIC ACID
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 6,7-DIMETHYL-
Preferred Name English
2,3-DIMETHYLNAPHTHALENE-5-SULFONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
VO06902FT8
Created by admin on Mon Mar 31 23:27:24 GMT 2025 , Edited by admin on Mon Mar 31 23:27:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID20868649
Created by admin on Mon Mar 31 23:27:24 GMT 2025 , Edited by admin on Mon Mar 31 23:27:24 GMT 2025
PRIMARY
CAS
474513-37-6
Created by admin on Mon Mar 31 23:27:24 GMT 2025 , Edited by admin on Mon Mar 31 23:27:24 GMT 2025
PRIMARY
PUBCHEM
174260
Created by admin on Mon Mar 31 23:27:24 GMT 2025 , Edited by admin on Mon Mar 31 23:27:24 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT