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 2,6-DIMETHYL-1-NAPHTHALENESULFONIC ACID

SMILES

CC1=CC2=CC=C(C)C(=C2C=C1)S(O)(=O)=O

InChI

InChIKey=XQVCFPMNOVXZPH-UHFFFAOYSA-N
InChI=1S/C12H12O3S/c1-8-3-6-11-10(7-8)5-4-9(2)12(11)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 Sat Dec 16 10:57:13 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:13 GMT 2023
Record UNII
N5CUA6X3FT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DIMETHYL-1-NAPHTHALENESULFONIC ACID
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 2,6-DIMETHYL-
Systematic Name English
2,6-DIMETHYLNAPHTHALENE-1-SULFONIC ACID
Systematic Name English
Code System Code Type Description
CAS
474513-39-8
Created by admin on Sat Dec 16 10:57:13 GMT 2023 , Edited by admin on Sat Dec 16 10:57:13 GMT 2023
PRIMARY
FDA UNII
N5CUA6X3FT
Created by admin on Sat Dec 16 10:57:13 GMT 2023 , Edited by admin on Sat Dec 16 10:57:13 GMT 2023
PRIMARY
PUBCHEM
20645237
Created by admin on Sat Dec 16 10:57:13 GMT 2023 , Edited by admin on Sat Dec 16 10:57:13 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT