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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15N3O9S3.2Na
Molecular Weight 559.501
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 7-Amino-8-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid, disodium salt

SMILES

[Na+].[Na+].NC1=C(\N=N\C2=CC=C(C=C2)S(=O)(=O)CCOS([O-])(=O)=O)C3=C(C=C1)C=CC(=C3)S([O-])(=O)=O

InChI

InChIKey=XTFLBKFLGRTWSC-SERMZQFOSA-L
InChI=1S/C18H17N3O9S3.2Na/c19-17-8-2-12-1-5-15(32(24,25)26)11-16(12)18(17)21-20-13-3-6-14(7-4-13)31(22,23)10-9-30-33(27,28)29;;/h1-8,11H,9-10,19H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b21-20+;;

HIDE SMILES / InChI

Approval Year

Name Type Language
7-Amino-8-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid, disodium salt
Systematic Name English
7-Amino-8-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)naphthalene-2-sulfonic acid, disodium salt
Preferred Name English
2-Naphthalenesulfonic acid, 7-amino-8-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt
Systematic Name English
Code System Code Type Description
FDA UNII
YE5BG7U3R3
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
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CAS
94158-90-4
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
PUBCHEM
12116398
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID70240850
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
303-164-4
Created by admin on Tue Apr 01 18:26:55 GMT 2025 , Edited by admin on Tue Apr 01 18:26:55 GMT 2025
PRIMARY