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CHEBI:50011 - Calcofluor White

ChEBI IDCHEBI:50011
ChEBI NameCalcofluor White
Stars
Last Modified20 May 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC40H42N12O10S2.2Na
Net Charge0
Average Mass960.964
Monoisotopic Mass960.23837
SMILES[H]C(=C([H])c1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-])c1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2
InChIKeyYJHDFAAFYNRKQE-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Calcofluor White (CHEBI:50011) has part 4,4'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2'-disulfonate (CHEBI:50012)
Calcofluor White (CHEBI:50011) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Synonyms  Source
disodium 4,4'-bis(6-anilino-(4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonateChemIDplus
CellufluorChemIDplus
C.I. Fluorescent Brightening Agent 28, disodium saltChemIDplus
4,4'-bis((4-anilino-6-bis(2-hydroxyethyl)amino-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid, disodium saltChemIDplus
4,4'-bis((2-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-6-yl)amino)stilbene-2,2'-disulfonic acid, disodium saltChemIDplus
Fluorescent Brightener 28ChemIDplus
Registry NumbersSources
Beilstein:8385272Beilstein
CAS:4193-55-9ChemIDplus