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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO8S2
Molecular Weight 361.348
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Acetylamino)-5-hydroxy-1,7-naphthalenedisulfonic acid

SMILES

CC(=O)NC1=C2C(O)=CC(=CC2=C(C=C1)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=JLDYJXZCXHXBTL-UHFFFAOYSA-N
InChI=1S/C12H11NO8S2/c1-6(14)13-9-2-3-11(23(19,20)21)8-4-7(22(16,17)18)5-10(15)12(8)9/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C12H11NO8S2
Molecular Weight 361.348
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 Tue Apr 01 19:02:19 GMT 2025
Edited
by admin
on Tue Apr 01 19:02:19 GMT 2025
Record UNII
K2ACG373UV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Acetylamino)-5-hydroxy-1,7-naphthalenedisulfonic acid
Systematic Name English
1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-
Preferred Name English
Code System Code Type Description
FDA UNII
K2ACG373UV
Created by admin on Tue Apr 01 19:02:19 GMT 2025 , Edited by admin on Tue Apr 01 19:02:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID6064323
Created by admin on Tue Apr 01 19:02:19 GMT 2025 , Edited by admin on Tue Apr 01 19:02:19 GMT 2025
PRIMARY
PUBCHEM
80849
Created by admin on Tue Apr 01 19:02:19 GMT 2025 , Edited by admin on Tue Apr 01 19:02:19 GMT 2025
PRIMARY
CAS
6409-21-8
Created by admin on Tue Apr 01 19:02:19 GMT 2025 , Edited by admin on Tue Apr 01 19:02:19 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-080-7
Created by admin on Tue Apr 01 19:02:19 GMT 2025 , Edited by admin on Tue Apr 01 19:02:19 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT