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Details

Stereochemistry ACHIRAL
Molecular Formula C32H28N12O6S2
Molecular Weight 740.772
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

NC1=NC(NC2=CC=CC=C2)=NC(NC3=CC(=C(\C=C\C4=C(C=C(NC5=NC(N)=NC(NC6=CC=CC=C6)=N5)C=C4)S(O)(=O)=O)C=C3)S(O)(=O)=O)=N1

InChI

InChIKey=GZTVYGOOILGXER-VAWYXSNFSA-N
InChI=1S/C32H28N12O6S2/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)/b12-11+

HIDE SMILES / InChI

Molecular Formula C32H28N12O6S2
Molecular Weight 740.772
Charge 0
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 Sat Dec 16 11:10:26 UTC 2023
Edited
by admin
on Sat Dec 16 11:10:26 UTC 2023
Record UNII
52Z7POI02A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUORESCENT BRIGHTENER 49 FREE ACID, (E)-
Common Name English
C.I. FLUORESCENT BRIGHTENER 49 FREE ACID, TRANS-
Systematic Name English
BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, (E)-
Systematic Name English
C.I. FLUORESCENT BRIGHTENER 49 FREE ACID, (E)-
Common Name English
Code System Code Type Description
FDA UNII
52Z7POI02A
Created by admin on Sat Dec 16 11:10:26 UTC 2023 , Edited by admin on Sat Dec 16 11:10:26 UTC 2023
PRIMARY
PUBCHEM
14473142
Created by admin on Sat Dec 16 11:10:26 UTC 2023 , Edited by admin on Sat Dec 16 11:10:26 UTC 2023
PRIMARY
CAS
736095-36-6
Created by admin on Sat Dec 16 11:10:26 UTC 2023 , Edited by admin on Sat Dec 16 11:10:26 UTC 2023
PRIMARY
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