U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 3,7-DIMETHYL-1-NAPHTHALENESULFONIC ACID

SMILES

CC1=CC=C2C=C(C)C=C(C2=C1)S(O)(=O)=O

InChI

InChIKey=DBYNVVXWOQJBKG-UHFFFAOYSA-N
InChI=1S/C12H12O3S/c1-8-3-4-10-5-9(2)7-12(11(10)6-8)16(13,14)15/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 23:31:50 GMT 2025
Edited
by admin
on Mon Mar 31 23:31:50 GMT 2025
Record UNII
SFX38PG2TF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-NAPHTHALENESULFONIC ACID, 3,7-DIMETHYL-
Preferred Name English
3,7-DIMETHYL-1-NAPHTHALENESULFONIC ACID
Systematic Name English
2,6-DIMETHYLNAPHTHALENE-4-SULFONIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80891392
Created by admin on Mon Mar 31 23:31:50 GMT 2025 , Edited by admin on Mon Mar 31 23:31:50 GMT 2025
PRIMARY
CAS
474513-40-1
Created by admin on Mon Mar 31 23:31:50 GMT 2025 , Edited by admin on Mon Mar 31 23:31:50 GMT 2025
PRIMARY
PUBCHEM
20645258
Created by admin on Mon Mar 31 23:31:50 GMT 2025 , Edited by admin on Mon Mar 31 23:31:50 GMT 2025
PRIMARY
FDA UNII
SFX38PG2TF
Created by admin on Mon Mar 31 23:31:50 GMT 2025 , Edited by admin on Mon Mar 31 23:31:50 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT