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

Details

Stereochemistry ACHIRAL
Molecular Formula C37H28N4O10S3.2Na
Molecular Weight 830.814
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ACID RED 111

SMILES

[Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)\N=N\C3=CC=C(C(C)=C3)C4=CC=C(C=C4C)\N=N\C5=C(O)C6=C(C=C(C=C6)S([O-])(=O)=O)C=C5S([O-])(=O)=O

InChI

InChIKey=YFSRRLXAGNGNNQ-WEUAPPMUSA-L
InChI=1S/C37H30N4O10S3.2Na/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40+;;

HIDE SMILES / InChI

Approval Year

Name Type Language
ACID RED 111
Common Name English
C.I. ACID RED 111
Common Name English
C.I. 23266
Common Name English
ACID RED FGN
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3-(2-(2,2'-DIMETHYL-4'-(2-(4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-4-HYDROXY-, SODIUM SALT (1:2)
Systematic Name English
C.I. ACID RED 111, DISODIUM SALT
Common Name English
CI ACID RED 111, DISODIUM SALT
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3-((2,2'-DIMETHYL-4'-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-4-HYDROXY-, DISODIUM SALT
Systematic Name English
ACID RED F 3GL
Common Name English
CI 23266
Common Name English
CI ACID RED 111
Common Name English
Code System Code Type Description
CAS
6358-57-2
Created by admin on Sat Dec 16 07:59:13 GMT 2023 , Edited by admin on Sat Dec 16 07:59:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
228-779-4
Created by admin on Sat Dec 16 07:59:13 GMT 2023 , Edited by admin on Sat Dec 16 07:59:13 GMT 2023
PRIMARY
FDA UNII
86K4T0CSTS
Created by admin on Sat Dec 16 07:59:13 GMT 2023 , Edited by admin on Sat Dec 16 07:59:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID3044708
Created by admin on Sat Dec 16 07:59:13 GMT 2023 , Edited by admin on Sat Dec 16 07:59:13 GMT 2023
PRIMARY