Chemical Name: Fluorescent Brightener 9
Molecular Formula: C44H34N12Na2O6S2
Molecular Weight: 936.9
InChI Key: HOSFCSQXJQXSIQ-ZPZFBZIMSA-L
InChI: 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+;;

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	disodium,5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Flash_Point:	N/A
Melting_Point:	N/A
FW:	936.92700
Density:	N/A
CAS:	133-66-4
Bolling_Point:	N/A
MF:	C44H34N12Na2O6S2

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :6 ', '3. Hydrogen Bond Acceptor Count :18 ', '4. Rotatable Bond Count :14 ', '5. Isotope Atom Count :105 ', '6. TPSA 281 ', '7. Heavy Atom Count :66 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1460 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :3']
LogP:	11.09640
FW:	936.92700
PSA:	280.68000
MF:	C44H34N12Na2O6S2
Exact_Mass:	936.19600