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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13ClN4O5S
Molecular Weight 408.8179
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MORDANT RED 19 FREE ACID

SMILES

CC1=NN(C(O)=C1\N=N\C2=CC(Cl)=CC(=C2O)S(O)(=O)=O)C3=CC=CC=C3

InChI

InChIKey=GWRGTTDDDGIZMG-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/h2-8,22-23H,1H3,(H,24,25,26)/b19-18+

HIDE SMILES / InChI

Molecular Formula C16H13ClN4O5S
Molecular Weight 408.8179
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9X3KZ37M9X
Record Status FAILED
Record Version