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CHEBI:87118 - erythrosin(2−)

ChEBI IDCHEBI:87118
ChEBI Nameerythrosin(2−)
Stars
ASCII Nameerythrosin(2-)
DefinitionA benzoate obtained by deprotonation of the carboxy and phenol groups of erythrosin.
Last Modified23 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H8I4O5
Net Charge-2
Average Mass835.895
Monoisotopic Mass835.65616
SMILESO=C1C(I)=CC2=C(c3ccccc3C(=O)[O-])C3C=C(I)C([O-])=C(I)C3OC2=C1I
InChIInChI=1S/C20H10I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,9,18,25H,(H,27,28)/p-2
InChIKeyWTOSNONTQZJEBC-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
erythrosin(2−) (CHEBI:87118) is a benzoates (CHEBI:22718)
erythrosin(2−) (CHEBI:87118) is a phenolate anion (CHEBI:50525)
erythrosin(2−) (CHEBI:87118) is conjugate base of erythrosin (CHEBI:87117)
Incoming Relation(s)
erythrosin B (CHEBI:61000) has part erythrosin(2−) (CHEBI:87118)
erythrosin (CHEBI:87117) is conjugate acid of erythrosin(2−) (CHEBI:87118)
IUPAC Name 
2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoate