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Fluorescent Brightener 210

CAT: 0572-TRC-F596210-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F596210-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28950-61-0
Synonyms
Fluorescent Brightener 210
Hazard Statement
Causes serious eye irritation.
Smiles
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8)cc1
Molecular Formula
C40 H36 N12 O14 S4 . 4 Na
Molecular Weight
1129.005
InChI
InChI=1S/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;
Additionnal Information
IUPAC name: tetrasodium;5-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Shipping Conditions
Room Temperature

Chemical Information

Fluorescent Brightener 210

See also: C.I. Fluorescent Brightener 210 (annotation moved to) ... View More ...

CAS Number28950-61-0
PubChem CID14692718
IUPAC Nametetrasodium;5-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Molecular FormulaC40H36N12Na4O14S4
Molecular Weight1129.0
Topological Polar Surface Area413
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count26
Rotatable Bond Count12
Heavy Atom Count74
Formal Charge0
Complexity1970
SMILES
C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])N7CCOCC7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=C(C=C8)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b2-1+;;;;
InChIKey
UOLRZRKZXIOJRT-MBCFVHIPSA-J
Chemical Structure
2D Structure
2D structure of Fluorescent Brightener 210
CAS: 28950-61-0
CID: 14692718
Formula: C40H36N12Na4O14S4
MW: 1129.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1129.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count26
Rotatable Bond Count12
Exact Mass1128.0947557
Monoisotopic Mass1128.0947557
Topological Polar Surface Area413 Ų
Heavy Atom Count74
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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