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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H21N5O8S2
Molecular Weight 631.636
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT RED 81 FREE ACID

SMILES

OC1=C2C=CC(NC(=O)C3=CC=CC=C3)=CC2=CC(=C1\N=N\C4=CC=C(C=C4)\N=N\C5=CC=C(C=C5)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=IGXZMQCLUNTWCC-HSBKYFPUSA-N
InChI=1S/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42)/b32-31+,34-33+

HIDE SMILES / InChI

Molecular Formula C29H21N5O8S2
Molecular Weight 631.636
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 09:32:32 GMT 2023
Edited
by admin
on Sat Dec 16 09:32:32 GMT 2023
Record UNII
RLM8W5IPXB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIRECT RED 81 FREE ACID
Common Name English
7-(BENZOYLAMINO)-4-HYDROXY-3-((4-((4-SULFOPHENYL)AZO)PHENYL)AZO)-2-NAPHTHALENESULFONIC ACID
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 7-(BENZOYLAMINO)-4-HYDROXY-3-((4-((4-SULFOPHENYL)AZO)PHENYL)AZO)-
Systematic Name English
DIRECT PAPER RED 4BL
Common Name English
2-NAPHTHALENESULFONIC ACID, 7-(BENZOYLAMINO)-4-HYDROXY-3-(2-(4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-
Systematic Name English
Code System Code Type Description
CAS
25188-42-5
Created by admin on Sat Dec 16 09:32:32 GMT 2023 , Edited by admin on Sat Dec 16 09:32:32 GMT 2023
PRIMARY
CHEBI
88192
Created by admin on Sat Dec 16 09:32:32 GMT 2023 , Edited by admin on Sat Dec 16 09:32:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-727-9
Created by admin on Sat Dec 16 09:32:32 GMT 2023 , Edited by admin on Sat Dec 16 09:32:32 GMT 2023
PRIMARY
FDA UNII
RLM8W5IPXB
Created by admin on Sat Dec 16 09:32:32 GMT 2023 , Edited by admin on Sat Dec 16 09:32:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID6041553
Created by admin on Sat Dec 16 09:32:32 GMT 2023 , Edited by admin on Sat Dec 16 09:32:32 GMT 2023
PRIMARY