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Product Overview

Product Code

TRC-F401320

CAS Number

12768-91-1

Product Format

Neat

Molecular Formula

C40H40N12Na4O16S4

Molecular Weight

1165.04

Product Categories

TRC

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Product Information

Chemical Data

Analyte Name

Fluorescent Brightener 87 (Technical Grade)

CAS Number

12768-91-1

Molecular Formula

C40H40N12Na4O16S4

Molecular Weight

1165.04

Accurate Mass

1164.12

SMILES

OCCN(CCO)C1=NC(NC2=CC=C(S(=O)(O[Na])=O)C=C2)=NC(NC(C=C3S(=O)(O[Na])=O)=CC=C3/C=C/C(C=C4)=C(S(=O)(O[Na])=O)C=C4NC5=NC(N(CCO)CCO)=NC(NC6=CC=C(S(=O)(O[Na])=O)C=C6)=N5)=N1

InChI

InChI=1S/C40H44N12O16S4.4Na/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)69(57,58)59)45-37(49-39)43-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(17-21-55)18-22-56)42-28-9-13-32(14-10-28)70(60,61)62;;;;/h1-14,23-24,53-56H,15-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b2-1+;;;;

IUPAC

sodium (E)-6,6'-(ethene-1,2-diyl)bis(3-((4-(bis(2-hydroxyethyl)amino)-6-((4-sulfonatophenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulfonate)

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Fluorescent Brightener 87 (Technical Grade)

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