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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H10O3S
Molecular Weight 222.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-2-NAPHTHALENESULFONIC ACID

SMILES

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

InChI

InChIKey=KMEFHULKORSPQV-UHFFFAOYSA-N
InChI=1S/C11H10O3S/c1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14/h2-7H,1H3,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C11H10O3S
Molecular Weight 222.26
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 10:57:11 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:11 GMT 2023
Record UNII
PNN1WGT2NU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2-NAPHTHALENESULFONIC ACID
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 3-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
PNN1WGT2NU
Created by admin on Sat Dec 16 10:57:11 GMT 2023 , Edited by admin on Sat Dec 16 10:57:11 GMT 2023
PRIMARY
CAS
833-59-0
Created by admin on Sat Dec 16 10:57:11 GMT 2023 , Edited by admin on Sat Dec 16 10:57:11 GMT 2023
PRIMARY
PUBCHEM
14178851
Created by admin on Sat Dec 16 10:57:11 GMT 2023 , Edited by admin on Sat Dec 16 10:57:11 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT