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CHEBI:119789 - 2-[2-[[4-oxo-3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-sulfanylidene-5-thiazolidinylidene]methyl]phenoxy]acetic acid

ChEBI IDCHEBI:119789
ChEBI Name2-[2-[[4-oxo-3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-sulfanylidene-5-thiazolidinylidene]methyl]phenoxy]acetic acid
Stars
DownloadsMolfile
FormulaC19H14N2O5S2
Net Charge0
Average Mass414.464
Monoisotopic Mass414.03441
SMILESO=C(O)COc1ccccc1C=C1SC(=S)N(NC=C2C=CC=CC2=O)C1=O
InChIInChI=1S/C19H14N2O5S2/c22-14-7-3-1-6-13(14)10-20-21-18(25)16(28-19(21)27)9-12-5-2-4-8-15(12)26-11-17(23)24/h1-10,20H,11H2,(H,23,24)
InChIKeyXNRKOFJGIHDTAX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[2-[[4-oxo-3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-sulfanylidene-5-thiazolidinylidene]methyl]phenoxy]acetic acid (CHEBI:119789) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-31233LINCS