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bathocuproine disulfonic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_63934

A 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.

Term info

Label

bathocuproine disulfonic acid

Synonyms
  • 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid [ IUPAC ]

charge

0

formula

C26H20N2O6S2

has obo namespace

chebi_ontology

has related synonym

Bathocuproine disulfonate, Bathocuproinedisulphonic acid, Bathocuproine sulfonate

id

CHEBI:63934

inchi

InChI=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)

inchikey

FBKZHCDISZZXDK-UHFFFAOYSA-N

mass

520.57700

monoisotopicmass

520.07628

smiles

Cc1cc(-c2ccc(cc2)S(O)(=O)=O)c2ccc3c(cc(C)nc3c2n1)-c1ccc(cc1)S(O)(=O)=O