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Details

Stereochemistry ACHIRAL
Molecular Formula C26H20Cl2N9O4S.Na
Molecular Weight 648.456
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACID YELLOW 127

SMILES

[Na+].CN(C1=CC=CC=C1)C2=NC(NC3=CC(\N=N\C4=C(O)N(N=C4C)C5=C(Cl)C=CC=C5)=C(C=C3)S([O-])(=O)=O)=NC(Cl)=N2

InChI

InChIKey=WHNIJQAJMVWXBC-GGTLNOMSSA-M
InChI=1S/C26H21Cl2N9O4S.Na/c1-15-22(23(38)37(35-15)20-11-7-6-10-18(20)27)34-33-19-14-16(12-13-21(19)42(39,40)41)29-25-30-24(28)31-26(32-25)36(2)17-8-4-3-5-9-17;/h3-14,38H,1-2H3,(H,39,40,41)(H,29,30,31,32);/q;+1/p-1/b34-33+;

HIDE SMILES / InChI

Molecular Formula C26H20Cl2N9O4S
Molecular Weight 625.466
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:45 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:45 GMT 2023
Record UNII
67SL5C598T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID YELLOW 127
Common Name English
BENZENESULFONIC ACID, 4-((4-CHLORO-6-(METHYLPHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL)DIAZENYL)-, SODIUM SALT (1:1)
Systematic Name English
C.I. 18888
Code English
C.I. ACID YELLOW 127
Common Name English
CI 18888
Code English
Code System Code Type Description
ECHA (EC/EINECS)
277-419-2
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
CAS
73384-78-8
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
FDA UNII
67SL5C598T
Created by admin on Sat Dec 16 08:33:45 GMT 2023 , Edited by admin on Sat Dec 16 08:33:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE