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Molecule

Fluorescent Brightener 220

CAS: 16470-24-9 · C40H44N12Na4O16S4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
16470-24-9
Molecular Formula
C40H44N12Na4O16S4
Molecular Mass
1169.09 g/mol

Identifiers

CAS Registry Number

16470-24-9

SMILES

O=S(=O)(O)c1ccc(Nc2nc(N(CCO)CCO)[nH]c(=Nc3ccc(C=Cc4ccc(N=c5nc(Nc6ccc(S(=O)(=O)O)cc6)nc(N(CCO)CCO)[nH]5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)n2)cc1.[Na].[Na].[Na].[Na]

InChI Key

FWSJMSQBIRWBAI-UHFFFAOYSA-N

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);;;;

Names and Synonyms

  • Fluorescent Brightener 220 Common Name
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4) Synonym
  • 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-[bis(2-hydroxyethyl)amino]-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-, tetrasodium salt Synonym
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt Synonym
  • Tetrasodium 4,4′-bis[2-di(β-hydroxyethyl)amino-4-(4-sulfophenylamino)-s-triazin-6-ylamino]stilbine-2,2′-disulfonate Synonym
  • C.I. Fluorescent Brightener 220 Synonym
  • Blancofor BBU Synonym
  • Blankophor BBU Synonym
  • Fluorescent Brightener 220 Synonym
  • Leucophor U Synonym
  • Blankophor P/BBU Synonym
  • C.I. 40623 Synonym
  • Photine CPK Synonym
  • Sandoz CD Synonym
  • SCRI Renaissance 2200 Synonym
  • Keyfluor White CN Synonym
  • Blankophor Z-JPN Synonym
  • Belofor OB Synonym
  • BLB Synonym
  • Kahablanc APU Synonym
  • Brightener APC Synonym
  • APC (brightener) Synonym
  • APC Synonym
  • APC (whitener) Synonym
  • FWA 220 Synonym
  • Deepwhite SI Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 1169.09 g/mol CAS Common Chemistry
1169.0880000000002 g/mol RDKit
1169.088 g/mol RDKit
1173.092 g/mol chempirical lib
Canonical SMILES [Na].O=S(=O)(O)C1=CC=C(C=C1)NC=2N=C(N=C(N2)N(CCO)CCO)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)O)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=CC=C(C=C6)S(=O)(=O)O)C(=C3)S(=O)(=O)O CAS Common Chemistry
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);;;; CAS Common Chemistry
InChI Key InChIKey=FWSJMSQBIRWBAI-UHFFFAOYSA-N CAS Common Chemistry
Name Fluorescent Brightener 220 CAS Common Chemistry
Heavy Atom Count 76 RDKit
Hydrogen Bond Acceptors 22 RDKit
Hydrogen Bond Donors 12 RDKit
Rotatable Bonds 22 RDKit
Aromatic Ring Count 6 RDKit
Topological Polar Surface Area 436.8 Ų RDKit
LogP -0.9091999999999927 RDKit
-0.9092 RDKit
Molar Refractivity 279.5163999999999 cm³/mol RDKit
Ring Count 6 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.2 RDKit
Exact Mass 1168.1471844480006 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 1169.09 g/mol. Edit any field — others recompute live.

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