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Details

Stereochemistry RACEMIC
Molecular Formula C16H13ClN4O8S2
Molecular Weight 488.879
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [ACID RED 183 FREE ACID]

SMILES

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

InChI

InChIKey=IMQZAMUWKUCBBR-VHEBQXMUSA-N
InChI=1S/C16H13ClN4O8S2/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26/h2-7,14,22H,1H3,(H,24,25,26)(H,27,28,29)/b19-18+

HIDE SMILES / InChI

Molecular Formula C16H13ClN4O8S2
Molecular Weight 488.879
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 05:58:58 GMT 2025
Edited
by admin
on Wed Apr 02 05:58:58 GMT 2025
Record UNII
U45ZWU6918
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition