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Details

Stereochemistry ACHIRAL
Molecular Formula C35H26N6O10S3.2Na
Molecular Weight 832.79
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ACID ORANGE 63

SMILES

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

InChI

InChIKey=DBWXHWIECBQPCI-PYIFGEPISA-L
InChI=1S/C35H28N6O10S3.2Na/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45;;/h3-21,42H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b38-36+,39-37+;;

HIDE SMILES / InChI

Molecular Formula C35H26N6O10S3
Molecular Weight 786.81
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
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 12:55:23 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:23 GMT 2023
Record UNII
3452D554GL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID ORANGE 63
Common Name English
(1,1'-BIPHENYL)-3-SULFONIC ACID, 4'-(2-(4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL)-4-(2-(4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)DIAZENYL)-, SODIUM SALT (1:2)
Systematic Name English
CI 22870
Common Name English
C.I. ACID ORANGE 63
Common Name English
(1,1'-BIPHENYL)-3-SULFONIC ACID, 4'-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-4-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)-, DISODIUM SALT
Systematic Name English
C.I. 22870
Common Name English
C.I. ACID ORANGE 63, DISODIUM SALT
Common Name English
BENZYL FAST YELLOW 3R
Common Name English
MILLING YELLOW R
Common Name English
NSC-324980
Code English
POLAR YELLOW R
Common Name English
Code System Code Type Description
NSC
324980
Created by admin on Sat Dec 16 12:55:23 GMT 2023 , Edited by admin on Sat Dec 16 12:55:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID90889649
Created by admin on Sat Dec 16 12:55:23 GMT 2023 , Edited by admin on Sat Dec 16 12:55:23 GMT 2023
PRIMARY
CAS
1098238-65-3
Created by admin on Sat Dec 16 12:55:23 GMT 2023 , Edited by admin on Sat Dec 16 12:55:23 GMT 2023
ALTERNATIVE
CAS
15792-50-4
Created by admin on Sat Dec 16 12:55:23 GMT 2023 , Edited by admin on Sat Dec 16 12:55:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
239-894-4
Created by admin on Sat Dec 16 12:55:23 GMT 2023 , Edited by admin on Sat Dec 16 12:55:23 GMT 2023
PRIMARY
FDA UNII
3452D554GL
Created by admin on Sat Dec 16 12:55:23 GMT 2023 , Edited by admin on Sat Dec 16 12:55:23 GMT 2023
PRIMARY
CAS
1030829-72-1
Created by admin on Sat Dec 16 12:55:23 GMT 2023 , Edited by admin on Sat Dec 16 12:55:23 GMT 2023
ALTERNATIVE
Related Record Type Details
PARENT -> SALT/SOLVATE