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Details

Stereochemistry RACEMIC
Molecular Formula C16H13ClN4O5S
Molecular Weight 408.816
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [MORDANT RED 19 FREE ACID]

SMILES

CC1=NN(C(=O)C1\N=N\C2=C(O)C(=CC(Cl)=C2)S(O)(=O)=O)C3=CC=CC=C3

InChI

InChIKey=LSFNRVBPDLEXDS-VHEBQXMUSA-N
InChI=1S/C16H13ClN4O5S/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26/h2-8,14,22H,1H3,(H,24,25,26)/b19-18+

HIDE SMILES / InChI

Molecular Formula C16H13ClN4O5S
Molecular Weight 408.816
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:15:34 GMT 2025
Edited
by admin
on Wed Apr 02 12:15:34 GMT 2025
Record UNII
9X3KZ37M9X
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition