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1-Ethyl-5,8-bis(oxidanyl)-4-oxidanylidene-6-pyridin-2-ylsulfanyl-quinoline-3-carboxylic acid
SpectraBase Compound ID BsBM64kJuh2
InChI InChI=1S/C17H14N2O5S/c1-2-19-8-9(17(23)24)15(21)13-14(19)10(20)7-11(16(13)22)25-12-5-3-4-6-18-12/h3-8,20,22H,2H2,1H3,(H,23,24)
InChIKey KZOMEMYSSKWKET-UHFFFAOYSA-N
Mol Weight 358.37 g/mol
Molecular Formula C17H14N2O5S
Exact Mass 358.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYQRdQnbhM5
Name 1-Ethyl-5,8-bis(oxidanyl)-4-oxidanylidene-6-pyridin-2-ylsulfanyl-quinoline-3-carboxylic acid
CAS Registry Number 85525-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O5S
InChI InChI=1S/C17H14N2O5S/c1-2-19-8-9(17(23)24)15(21)13-14(19)10(20)7-11(16(13)22)25-12-5-3-4-6-18-12/h3-8,20,22H,2H2,1H3,(H,23,24)
InChIKey KZOMEMYSSKWKET-UHFFFAOYSA-N
Molecular Weight 358.368 g/mol
SMILES Oc1cc(c(c2C(C(C(=O)O)=CN(c12)CC)=O)O)Sc1ncccc1
SPLASH splash10-0gyk-2490000000-9bded020963816963d73
Source of Spectrum H-65-2666-0
Synonyms 1-Ethyl-5,8-dihydroxy-4-keto-6-(2-pyridylthio)quinoline-3-carboxylic acid 1-Ethyl-5,8-dihydroxy-4-oxo-6-(2-pyridinylthio)-3-quinolinecarboxylic acid 1-Ethyl-5,8-dihydroxy-4-oxo-6-(2-pyridylsulfanyl)quinoline-3-carboxylic acid 1-Ethyl-5,8-dihydroxy-4-oxo-6-pyridin-2-ylsulfanylquinoline-3-carboxylic acid
Wiley ID 1346858