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Details

Stereochemistry ACHIRAL
Molecular Formula C44H34N12O6S2.2Na
Molecular Weight 936.927
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Stereo Comments Assumed E-isomer

SHOW SMILES / InChI
Structure of FLUORESCENT BRIGHTENER 9

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1=CC(NC2=NC(NC3=CC=CC=C3)=NC(NC4=CC=CC=C4)=N2)=CC=C1\C=C\C5=CC=C(NC6=NC(NC7=CC=CC=C7)=NC(NC8=CC=CC=C8)=N6)C=C5S([O-])(=O)=O

InChI

InChIKey=HOSFCSQXJQXSIQ-ZPZFBZIMSA-L
InChI=1S/C44H36N12O6S2.2Na/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34;;/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;/q;2*+1/p-2/b22-21+;;

HIDE SMILES / InChI

Molecular Formula C44H34N12O6S2
Molecular Weight 890.948
Charge -2
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 08:02:34 UTC 2023
Edited
by admin
on Sat Dec 16 08:02:34 UTC 2023
Record UNII
CRN2143Y31
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUORESCENT BRIGHTENER 9
Common Name English
BRIGHTENER BR 36
Brand Name English
BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4,6-BIS(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, SODIUM SALT (1:2)
Systematic Name English
TINOPAL TAS
Brand Name English
DISODIUM 4,4'-BIS((2,4-DIANILINO-1,3,5-TRIAZIN-6-YL)AMINO)-2,2'-STILBENEDISULFONATE
Common Name English
CI 40621
Common Name English
BLANKOPHOR HZPA
Brand Name English
BRIGHTENER TA
Brand Name English
2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4,6-DIANILINO-S-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT
Systematic Name English
C.I. 40621
Common Name English
BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4,6-BIS(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT
Systematic Name English
CALCOFLUOR WHITE MR
Brand Name English
STRALEX DPA
Brand Name English
C.I. FLUORESCENT BRIGHTENER 9
Common Name English
PHORWITE BA
Brand Name English
Code System Code Type Description
PUBCHEM
6436869
Created by admin on Sat Dec 16 08:02:34 UTC 2023 , Edited by admin on Sat Dec 16 08:02:34 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-117-2
Created by admin on Sat Dec 16 08:02:34 UTC 2023 , Edited by admin on Sat Dec 16 08:02:34 UTC 2023
PRIMARY
CAS
133-66-4
Created by admin on Sat Dec 16 08:02:34 UTC 2023 , Edited by admin on Sat Dec 16 08:02:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID90889422
Created by admin on Sat Dec 16 08:02:34 UTC 2023 , Edited by admin on Sat Dec 16 08:02:34 UTC 2023
PRIMARY
FDA UNII
CRN2143Y31
Created by admin on Sat Dec 16 08:02:34 UTC 2023 , Edited by admin on Sat Dec 16 08:02:34 UTC 2023
PRIMARY