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3-[(2E)-2-(4-hydroxy-6-oxo-2-thioxo-1,6-dihydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid
SpectraBase Compound ID 52bpMUvcvHL
InChI InChI=1S/C11H8N4O4S/c16-8-7(9(17)13-11(20)12-8)15-14-6-3-1-2-5(4-6)10(18)19/h1-4,14H,(H,18,19)(H2,12,13,16,17,20)
InChIKey QLSQRRVBWUJNTL-UHFFFAOYSA-N
Mol Weight 292.27 g/mol
Molecular Formula C11H8N4O4S
Exact Mass 292.026626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ptzbYqf8Fr
Name 3-[2-(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)hydrazino]benzoic acid
Alternate Name(s) 3-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic acid 3-[2-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzoic acid 3-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzoic acid 3-[N'-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzoic acid
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Formula C11H8N4O4S
InChI InChI=1S/C11H8N4O4S/c16-8-7(9(17)13-11(20)12-8)15-14-6-3-1-2-5(4-6)10(18)19/h1-4,14H,(H,18,19)(H2,12,13,16,17,20)
InChIKey QLSQRRVBWUJNTL-UHFFFAOYSA-N
Molecular Weight 292.269 g/mol
SMILES N1C(NC(C(=NNc2cc(C(=O)O)ccc2)C1=O)=O)=S
SPLASH splash10-0006-9300000000-ec04a7fd02b71c1c0708
Wiley ID 1453213