CHEBI:50011 - Calcofluor White

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Calcofluor White
ChEBI ID CHEBI:50011
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H42N12Na2O10S2
Net Charge 0
Average Mass 960.94790
Monoisotopic Mass 960.23837
InChI InChI=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
InChIKey YJHDFAAFYNRKQE-UHFFFAOYSA-L
SMILES [Na+].[Na+].[H]C(=C([H])c1ccc(Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)cc1S([O-])(=O)=O)c1ccc(Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)cc1S([O-])(=O)=O
ChEBI Ontology
Outgoing 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 Sources
4,4'-bis((2-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-6-yl)amino)stilbene-2,2'-disulfonic acid, disodium salt ChemIDplus
4,4'-bis((4-anilino-6-bis(2-hydroxyethyl)amino-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid, disodium salt ChemIDplus
C.I. 40622 ChEBI
C.I. Fluorescent Brightening Agent 28, disodium salt ChemIDplus
Calcofluor White LRP ChemIDplus
Calcofluor White M 2R ChemIDplus
Calcofluor White ST ChemIDplus
Cellufluor ChemIDplus
disodium 4,4'-bis(6-anilino-(4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate ChemIDplus
Fluorescent Brightener 28 ChemIDplus
Registry Numbers Types Sources
4193-55-9 CAS Registry Number ChemIDplus
8385272 Beilstein Registry Number Beilstein
Last Modified
20 May 2008