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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11N3O8S2.2Na
Molecular Weight 483.383
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Disodium 4-[(4-Amino-2-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulfonate

SMILES

[Na+].[Na+].NC1=CC=C(\N=N\C2=C3C(O)=CC(=CC3=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O)C(O)=C1

InChI

InChIKey=ACWRIADXYIZUNS-BUFQOAPZSA-L
InChI=1S/C16H13N3O8S2.2Na/c17-9-1-2-12(14(20)5-9)18-19-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-18+;;

HIDE SMILES / InChI

Molecular Formula C16H11N3O8S2
Molecular Weight 437.404
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
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 Wed Apr 02 19:35:13 GMT 2025
Edited
by admin
on Wed Apr 02 19:35:13 GMT 2025
Record UNII
L6H6HWU2TG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-2-hydroxyphenyl)diazenyl]-5-hydroxy-, sodium salt (1:2)
Preferred Name English
Disodium 4-[(4-Amino-2-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulfonate
Systematic Name English
Disodium 4-[(2E)-2-(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-hydroxynaphthalene-2,7-disulfonate
Systematic Name English
Disodium 4-[(4-Amino-2-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate
Systematic Name English
Code System Code Type Description
FDA UNII
L6H6HWU2TG
Created by admin on Wed Apr 02 19:35:13 GMT 2025 , Edited by admin on Wed Apr 02 19:35:13 GMT 2025
PRIMARY
CAS
94236-87-0
Created by admin on Wed Apr 02 19:35:13 GMT 2025 , Edited by admin on Wed Apr 02 19:35:13 GMT 2025
PRIMARY
PUBCHEM
135755771
Created by admin on Wed Apr 02 19:35:13 GMT 2025 , Edited by admin on Wed Apr 02 19:35:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE