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Details

Stereochemistry ACHIRAL
Molecular Formula C32H26N12O6S2.2Na
Molecular Weight 784.735
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FLUORESCENT BRIGHTENER 49, (E)-

SMILES

[Na+].[Na+].NC1=NC(NC2=CC(=C(\C=C\C3=C(C=C(NC4=NC(NC5=CC=CC=C5)=NC(N)=N4)C=C3)S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=NC(NC6=CC=CC=C6)=N1

InChI

InChIKey=XTYKHCPNKDNILW-YHPRVSEPSA-L
InChI=1S/C32H28N12O6S2.2Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);;/q;2*+1/p-2/b12-11+;;

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 C32H26N12O6S2
Molecular Weight 738.756
Charge -2
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 23:40:37 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:37 GMT 2025
Record UNII
66YE8J18RF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
C.I. FLUORESCENT BRIGHTENER 49, (E)-
Preferred Name English
FLUORESCENT BRIGHTENER 49, (E)-
Common Name English
BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT, (E)-
Systematic Name English
C.I. FLUORESCENT BRIGHTENER 49, TRANS-
Systematic Name English
Code System Code Type Description
PUBCHEM
14473141
Created by admin on Mon Mar 31 23:40:37 GMT 2025 , Edited by admin on Mon Mar 31 23:40:37 GMT 2025
PRIMARY
CAS
92629-80-6
Created by admin on Mon Mar 31 23:40:37 GMT 2025 , Edited by admin on Mon Mar 31 23:40:37 GMT 2025
PRIMARY
FDA UNII
66YE8J18RF
Created by admin on Mon Mar 31 23:40:37 GMT 2025 , Edited by admin on Mon Mar 31 23:40:37 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE