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

Details

Stereochemistry ACHIRAL
Molecular Formula C46H28Cl4N6O4
Molecular Weight 870.564
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of N,N'-(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis[4-[(2-chlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]

SMILES

OC1=C(N=NC2=C(Cl)C=CC=C2)C3=C(C=CC=C3)C=C1C(=O)NC4=C(Cl)C=C(C=C4)C5=CC(Cl)=C(NC(=O)C6=CC7=C(C=CC=C7)C(N=NC8=C(Cl)C=CC=C8)=C6O)C=C5

InChI

InChIKey=XJAFNUYWDPNWST-DSZBTAPASA-N
InChI=1S/C46H28Cl4N6O4/c47-33-13-5-7-15-39(33)53-55-41-29-11-3-1-9-27(29)21-31(43(41)57)45(59)51-37-19-17-25(23-35(37)49)26-18-20-38(36(50)24-26)52-46(60)32-22-28-10-2-4-12-30(28)42(44(32)58)56-54-40-16-8-6-14-34(40)48/h1-24,57-58H,(H,51,59)(H,52,60)/b55-53+,56-54+

HIDE SMILES / InChI

Molecular Formula C46H28Cl4N6O4
Molecular Weight 870.564
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:56:51 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:51 GMT 2023
Record UNII
S8UEX66HEC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N'-(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis[4-[(2-chlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]
Systematic Name English
2-NAPHTHALENECARBOXAMIDE, N,N'-(3,3'-DICHLORO(1,1'-BIPHENYL)-4,4'-DIYL)BIS(4-((2-CHLOROPHENYL)AZO)-3-HYDROXY-
Common Name English
C.I. 20050
Common Name English
Dafenzi Orange 4R
Common Name English
C.I. Pigment Orange 31
Common Name English
N,N′-(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis[4-[2-(2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthalenecarboxamide]
Systematic Name English
Cromophtal Orange 4R
Common Name English
2-Naphthalenecarboxamide, N,N′-(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis[4-[2-(2-chlorophenyl)diazenyl]-3-hydroxy-
Systematic Name English
1-[(2-Chlorophenyl)diazenyl]-N-[3,3'-dichloro-4'-({4-[(2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthoyl}amino)-4-biphenylyl]-3-hydroxy-2-naphthamide
Systematic Name English
Pigment Orange 31
Common Name English
Code System Code Type Description
FDA UNII
S8UEX66HEC
Created by admin on Sat Dec 16 11:56:51 GMT 2023 , Edited by admin on Sat Dec 16 11:56:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID8063755
Created by admin on Sat Dec 16 11:56:51 GMT 2023 , Edited by admin on Sat Dec 16 11:56:51 GMT 2023
PRIMARY
PUBCHEM
160780
Created by admin on Sat Dec 16 11:56:51 GMT 2023 , Edited by admin on Sat Dec 16 11:56:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-105-3
Created by admin on Sat Dec 16 11:56:51 GMT 2023 , Edited by admin on Sat Dec 16 11:56:51 GMT 2023
PRIMARY
CAS
5280-74-0
Created by admin on Sat Dec 16 11:56:51 GMT 2023 , Edited by admin on Sat Dec 16 11:56:51 GMT 2023
PRIMARY