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Details

Stereochemistry RACEMIC
Molecular Formula C16H12ClN4O4S.Na
Molecular Weight 414.799
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [ACID YELLOW 34]

SMILES

[Na+].CC1=NN(C(=O)C1\N=N\C2=CC=CC=C2)C3=C(Cl)C=CC(=C3)S([O-])(=O)=O

InChI

InChIKey=WOMLYDIIIDEUHC-LTRPLHCISA-M
InChI=1S/C16H13ClN4O4S.Na/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17;/h2-9,15H,1H3,(H,23,24,25);/q;+1/p-1/b19-18+;

HIDE SMILES / InChI

Molecular Formula C16H12ClN4O4S
Molecular Weight 391.809
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

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 06:33:19 GMT 2025
Edited
by admin
on Wed Apr 02 06:33:19 GMT 2025
Record UNII
63309FUU2Q
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition