U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C36H32Cl4N6O4
Molecular Weight 754.489
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PIGMENT YELLOW 81

SMILES

CC(=O)C(\N=N\C1=CC(Cl)=C(C=C1Cl)C2=C(Cl)C=C(\N=N\C(C(C)=O)C(=O)NC3=C(C)C=C(C)C=C3)C(Cl)=C2)C(=O)NC4=C(C)C=C(C)C=C4

InChI

InChIKey=GPWXTTPSHZOIKO-MWOVFPFUSA-N
InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)/b45-43+,46-44+

HIDE SMILES / InChI

Molecular Formula C36H32Cl4N6O4
Molecular Weight 754.489
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:57:54 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:54 GMT 2023
Record UNII
DGH1X24C9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIGMENT YELLOW 81
Common Name English
C.I. PIGMENT YELLOW 81
Common Name English
2,2'-((2,2',5,5'-TETRACHLORO(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(N-(2,4-DIMETHYLPHENYL)-3-OXOBUTANAMIDE)
Systematic Name English
BUTANAMIDE, 2,2'-((2,2',5,5'-TETRACHLORO(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(N-(2,4-DIMETHYLPHENYL)-3-OXO-
Systematic Name English
CI 21127
Code English
C.I. 21127
Code English
Code System Code Type Description
CAS
22094-93-5
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
FDA UNII
DGH1X24C9Z
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID20865032
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
WIKIPEDIA
Pigment Yellow 81
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-776-0
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY