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Details

Stereochemistry RACEMIC
Molecular Formula C17H13ClN4O7S2.2H4N
Molecular Weight 520.968
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PIGMENT YELLOW 191 DIAMMONIUM]

SMILES

[NH4+].[NH4+].CC1=NN(C(=O)C1\N=N\C2=C(C=C(C)C(Cl)=C2)S([O-])(=O)=O)C3=CC(=CC=C3)S([O-])(=O)=O

InChI

InChIKey=KOJNKGSMYHNILJ-LLIZZRELSA-N
InChI=1S/C17H15ClN4O7S2.2H3N/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;;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);2*1H3/b20-19+;;

HIDE SMILES / InChI

Approval Year