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CHEBI:78157 - disodium 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate

ChEBI IDCHEBI:78157
ChEBI Namedisodium 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate
Stars
DefinitionAn organic sodium salt having 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate as the counterion.
Last Modified8 April 2014
SubmitterSteve
DownloadsMolfile
FormulaC24H14N2O6S2.2Na
Net Charge0
Average Mass536.498
Monoisotopic Mass536.00887
SMILESO=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.[Na+].[Na+]
InChIInChI=1S/C24H16N2O6S2.2Na/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;/h1-14H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChIKeyPCNDSIWXTYFWIA-UHFFFAOYSA-L
Roles Classification
Chemical Role:
ChEBI Ontology
Outgoing Relation(s)
disodium 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate (CHEBI:78157) has part 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate (CHEBI:78158)
disodium 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate (CHEBI:78157) has role iron chelator (CHEBI:38157)
disodium 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate (CHEBI:78157) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 4,4'-(1,10-phenanthroline-4,7-diyl)dibenzenesulfonate
Synonyms  Source
4,7-Diphenyl-1,10-phenanthrolinium di(sodiosulphonate)ChemIDplus
Disodium bathophenanthrolinedisulfonateChemIDplus
4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid disodium saltChEBI
Registry NumbersSources
Reaxys:9831013Reaxys
CAS:52746-49-3ChemIDplus
Citations