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Fluorescent Brightener 210, Technical grade

CAT: 0926-FF41178-01Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-FF41178-01Size:0.1 g
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CAS Number
28950-61-0
MDL Number
MFCD01762077
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+]
Molecular Formula
C40H36N12O14S4Na4
Molecular Weight
1,129 g/mol
Controlled
No

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
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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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