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CHEBI:63934 - bathocuproine disulfonic acid

ChEBI IDCHEBI:63934
ChEBI Namebathocuproine disulfonic acid
Stars
DefinitionA phenanthroline that consists of 1,10-phenanthroline bearing two methyl groups at position 2 and 9 as well as two 4-sulfophenyl groups at positions 4 and 7.
Last Modified17 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC26H20N2O6S2
Net Charge0
Average Mass520.588
Monoisotopic Mass520.07628
SMILESCc1cc(-c2ccc(S(=O)(=O)O)cc2)c2ccc3c(-c4ccc(S(=O)(=O)O)cc4)cc(C)nc3c2n1
InChIInChI=1S/C26H20N2O6S2/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)
InChIKeyFBKZHCDISZZXDK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
ChEBI Ontology
Outgoing Relation(s)
bathocuproine disulfonic acid (CHEBI:63934) has parent hydride 1,10-phenanthroline (CHEBI:44975)
bathocuproine disulfonic acid (CHEBI:63934) has role chelator (CHEBI:38161)
bathocuproine disulfonic acid (CHEBI:63934) is a arenesulfonic acid (CHEBI:33555)
bathocuproine disulfonic acid (CHEBI:63934) is a phenanthrolines (CHEBI:48835)
IUPAC Name 
4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid
Synonyms  Source
Bathocuproine disulfonateChemIDplus
Bathocuproine sulfonateChemIDplus
Bathocuproinedisulphonic acidChemIDplus
Registry NumbersSources
Reaxys:9595708Reaxys
CAS:73348-75-1ChemIDplus
Citations