CHEBI:87387 - chromoxane cyanin R(3−)

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ChEBI Name chromoxane cyanin R(3−)
ChEBI ID CHEBI:87387
ChEBI ASCII Name chromoxane cyanin R(3-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H15O9S
Net Charge -3
Average Mass 467.42600
Monoisotopic Mass 467.04532
InChI InChI=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+
InChIKey KXOWVZNVTQLQPD-XMHGGMMESA-K
SMILES CC1=C\C(C=C(C([O-])=O)C1=O)=C(\c1cc(C)c(O)c(c1)C([O-])=O)c1ccccc1S([O-])(=O)=O
ChEBI Ontology
Outgoing 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 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 Sources
chromoxane cyanin R anion ChEBI
chromoxane cyanin R trianion ChEBI
Last Modified
07 August 2015