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

Details

Stereochemistry ACHIRAL
Molecular Formula C30H24N6O2
Molecular Weight 500.5506
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 4,6-Bis[[4-(phenylamino)phenyl]azo]resorcinol

SMILES

OC1=CC(O)=C(C=C1\N=N\C2=CC=C(NC3=CC=CC=C3)C=C2)\N=N\C4=CC=C(NC5=CC=CC=C5)C=C4

InChI

InChIKey=KHRLXDLDLKBFRP-LBYUQGKWSA-N
InChI=1S/C30H24N6O2/c37-29-20-30(38)28(36-34-26-17-13-24(14-18-26)32-22-9-5-2-6-10-22)19-27(29)35-33-25-15-11-23(12-16-25)31-21-7-3-1-4-8-21/h1-20,31-32,37-38H/b35-33+,36-34+

HIDE SMILES / InChI

Molecular Formula C30H24N6O2
Molecular Weight 500.5506
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 Tue Apr 01 17:42:39 GMT 2025
Edited
by admin
on Tue Apr 01 17:42:39 GMT 2025
Record UNII
48XG8EL5MN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BENZENEDIOL, 4,6-BIS((4-(PHENYLAMINO)PHENYL)AZO)-
Preferred Name English
4,6-Bis[[4-(phenylamino)phenyl]azo]resorcinol
Systematic Name English
1,3-Benzenediol, 4,6-bis[2-[4-(phenylamino)phenyl]diazenyl]-
Systematic Name English
4,6-Bis[2-[4-(phenylamino)phenyl]diazenyl]-1,3-benzenediol
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-171-3
Created by admin on Tue Apr 01 17:42:39 GMT 2025 , Edited by admin on Tue Apr 01 17:42:39 GMT 2025
PRIMARY
FDA UNII
48XG8EL5MN
Created by admin on Tue Apr 01 17:42:39 GMT 2025 , Edited by admin on Tue Apr 01 17:42:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID8070621
Created by admin on Tue Apr 01 17:42:39 GMT 2025 , Edited by admin on Tue Apr 01 17:42:39 GMT 2025
PRIMARY
CAS
67801-52-9
Created by admin on Tue Apr 01 17:42:39 GMT 2025 , Edited by admin on Tue Apr 01 17:42:39 GMT 2025
PRIMARY