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CHEBI:90323 - Ponceau S(4−)

ChEBI IDCHEBI:90323
ChEBI NamePonceau S(4−)
Stars
ASCII NamePonceau S(4-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfo groups of Ponceau S.
Last Modified12 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H12N4O13S4
Net Charge-4
Average Mass668.621
Monoisotopic Mass667.93056
SMILESO=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc34)c(S(=O)(=O)[O-])c2)cc1
InChIInChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-4
InChIKeyKMNTUASVUKNVJS-UHFFFAOYSA-J
ChEBI Ontology
Outgoing Relation(s)
Ponceau S(4−) (CHEBI:90323) is a organosulfonate oxoanion (CHEBI:33554)
Ponceau S(4−) (CHEBI:90323) is conjugate base of Ponceau S (acid form) (CHEBI:90322)
Incoming Relation(s)
Ponceau S (CHEBI:90319) has part Ponceau S(4−) (CHEBI:90323)
Ponceau S (acid form) (CHEBI:90322) is conjugate acid of Ponceau S(4−) (CHEBI:90323)
IUPAC Name 
3-hydroxy-4-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate
Synonym  Source
Ponceau S tetraanionChEBI