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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18N4O8S.2Na
Molecular Weight 544.445
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Sodium 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylate

SMILES

[Na+].[Na+].COC1=CC(\N=N\C2=CC(C([O-])=O)=C(O)C(=C2)S([O-])(=O)=O)=C(C)C=C1NC(=O)C3=CC=CC(N)=C3

InChI

InChIKey=HCIFPZMKLOUMML-LHPVOXLHSA-L
InChI=1S/C22H20N4O8S.2Na/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33;;/h3-10,27H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33);;/q;2*+1/p-2/b26-25+;;

HIDE SMILES / InChI

Approval Year

Name Type Language
Sodium 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylate
Systematic Name English
Benzoic acid, 5-[2-[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfo-, sodium salt (1:2)
Preferred Name English
Sodium 5-[[4-[(3-Aminobenzoyl)amino]-5-methoxy-o-tolyl]azo]-3-sulphosalicylate
Systematic Name English
Disodium (3E)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfonatocyclohexa-1,4-diene-1-carboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
E5L598E4FN
Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025
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CAS
84912-17-4
Created by admin on Wed Apr 02 19:34:03 GMT 2025 , Edited by admin on Wed Apr 02 19:34:03 GMT 2025
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