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CHEBI:87387 - chromoxane cyanin R(3−)

ChEBI IDCHEBI:87387
ChEBI Namechromoxane cyanin R(3−)
Stars
ASCII Namechromoxane cyanin R(3-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfo and carboxy groups of 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid.
Last Modified7 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H15O9S
Net Charge-3
Average Mass467.431
Monoisotopic Mass467.04532
SMILESCC1=C/C(=C(/c2cc(C)c(O)c(C(=O)[O-])c2)c2ccccc2S(=O)(=O)[O-])C=C(C(=O)[O-])C1=O
InChIInChI=1S/C23H18O9S/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32)/p-3/b19-14+
InChIKeyKXOWVZNVTQLQPD-XMHGGMMESA-K
ChEBI Ontology
Outgoing Relation(s)
chromoxane cyanin R(3−) (CHEBI:87387) is a hydroxybenzoate (CHEBI:24675)
chromoxane cyanin R(3−) (CHEBI:87387) is a organosulfonate oxoanion (CHEBI:33554)
chromoxane cyanin R(3−) (CHEBI:87387) is conjugate base of chromoxane cyanin R free acid (CHEBI:87389)
Incoming Relation(s)
chromoxane cyanin R (CHEBI:87376) has part chromoxane cyanin R(3−) (CHEBI:87387)
chromoxane cyanin R free acid (CHEBI:87389) is conjugate acid of chromoxane cyanin R(3−) (CHEBI:87387)
IUPAC Name 
5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate
Synonyms  Source
chromoxane cyanin R trianionChEBI
chromoxane cyanin R anionChEBI