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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N4O9S2
Molecular Weight 496.471
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACID YELLOW 54 FREE ACID

SMILES

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

InChI

InChIKey=NOQURKNIKJDEPW-FMQUCBEESA-N
InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+

HIDE SMILES / InChI

Molecular Formula C18H16N4O9S2
Molecular Weight 496.471
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:26:46 GMT 2023
Edited
by admin
on Sat Dec 16 13:26:46 GMT 2023
Record UNII
83Y199VAOL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID YELLOW 54 FREE ACID
Common Name English
2-(2-(4,5-DIHYDRO-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-5-OXO-1H-PYRAZOL-4-YL)DIAZENYL)-4-SULFOBENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-((4,5-DIHYDRO-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-5-OXO-1H-PYRAZOL-4-YL)AZO)-4-SULFO-
Systematic Name English
BENZOIC ACID, 2-(2-(4,5-DIHYDRO-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-5-OXO-1H-PYRAZOL-4-YL)DIAZENYL)-4-SULFO-
Systematic Name English
Code System Code Type Description
FDA UNII
83Y199VAOL
Created by admin on Sat Dec 16 13:26:46 GMT 2023 , Edited by admin on Sat Dec 16 13:26:46 GMT 2023
PRIMARY
DRUG BANK
DB03442
Created by admin on Sat Dec 16 13:26:46 GMT 2023 , Edited by admin on Sat Dec 16 13:26:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID10887607
Created by admin on Sat Dec 16 13:26:46 GMT 2023 , Edited by admin on Sat Dec 16 13:26:46 GMT 2023
PRIMARY
CAS
68957-71-1
Created by admin on Sat Dec 16 13:26:46 GMT 2023 , Edited by admin on Sat Dec 16 13:26:46 GMT 2023
PRIMARY
CAS
1265966-90-2
Created by admin on Sat Dec 16 13:26:46 GMT 2023 , Edited by admin on Sat Dec 16 13:26:46 GMT 2023
ALTERNATIVE
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