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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15ClN4O7S2
Molecular Weight 486.9094
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PIGMENT YELLOW 191 FREE ACID

SMILES

CC1=NN(C(O)=C1\N=N\C2=CC(Cl)=C(C)C=C2S(O)(=O)=O)C3=CC=CC(=C3)S(O)(=O)=O

InChI

InChIKey=UCSIXQHXWQFEFY-FMQUCBEESA-N
InChI=1S/C17H15ClN4O7S2/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26/h3-8,23H,1-2H3,(H,24,25,26)(H,27,28,29)/b20-19+

HIDE SMILES / InChI

Molecular Formula C17H15ClN4O7S2
Molecular Weight 486.9094
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
FJJ448KM8B
Record Status FAILED
Record Version