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Details

Stereochemistry ACHIRAL
Molecular Formula C27H18ClN7O16S5.4Na
Molecular Weight 984.206
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of REACTIVE RED 198

SMILES

[Na+].[Na+].[Na+].[Na+].OC1=C2C(NC3=NC(Cl)=NC(NC4=CC=CC(=C4)S([O-])(=O)=O)=N3)=CC(=CC2=CC(=C1\N=N\C5=CC=C(C=C5)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=ZRXRACPUMHCGPL-WPWJTNPYSA-J
InChI=1S/C27H22ClN7O16S5.4Na/c28-25-31-26(29-16-2-1-3-18(12-16)53(39,40)41)33-27(32-25)30-20-13-19(54(42,43)44)10-14-11-21(55(45,46)47)23(24(36)22(14)20)35-34-15-4-6-17(7-5-15)52(37,38)9-8-51-56(48,49)50;;;;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;/q;4*+1/p-4/b35-34+;;;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H18ClN7O16S5
Molecular Weight 892.247
Charge -4
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:28:03 GMT 2025
Edited
by admin
on Mon Mar 31 23:28:03 GMT 2025
Record UNII
84VM7N1390
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REACTIVE RED 198
Common Name English
C.I. 18221
Preferred Name English
CI 18221
Common Name English
C.I. REACTIVE RED 198
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 5-((4-CHLORO-6-((3-SULFOPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-(2-(4-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)DIAZENYL)-, SODIUM SALT (1:4)
Systematic Name English
REACTIVE RED RB
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
279-015-1
Created by admin on Mon Mar 31 23:28:03 GMT 2025 , Edited by admin on Mon Mar 31 23:28:03 GMT 2025
PRIMARY
CAS
78952-61-1
Created by admin on Mon Mar 31 23:28:03 GMT 2025 , Edited by admin on Mon Mar 31 23:28:03 GMT 2025
NON-SPECIFIC STOICHIOMETRY
CAS
145017-98-7
Created by admin on Mon Mar 31 23:28:03 GMT 2025 , Edited by admin on Mon Mar 31 23:28:03 GMT 2025
PRIMARY
FDA UNII
84VM7N1390
Created by admin on Mon Mar 31 23:28:03 GMT 2025 , Edited by admin on Mon Mar 31 23:28:03 GMT 2025
PRIMARY