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2-{[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzenesulfonate
SpectraBase Compound ID 97vO2bnxjsX
InChI InChI=1S/C23H17N3O6S/c1-16-21(23(27)25(24-16)18-11-13-19(14-12-18)26(28)29)15-17-7-5-6-10-22(17)32-33(30,31)20-8-3-2-4-9-20/h2-15H,1H3/b21-15-
InChIKey ALMSDZAMBRECID-QNGOZBTKSA-N
Mol Weight 463.46 g/mol
Molecular Formula C23H17N3O6S
Exact Mass 463.083806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32y2m5qOxIe
Name 2-{[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzenesulfonate
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Formula C23H17N3O6S
InChI InChI=1S/C23H17N3O6S/c1-16-21(23(27)25(24-16)18-11-13-19(14-12-18)26(28)29)15-17-7-5-6-10-22(17)32-33(30,31)20-8-3-2-4-9-20/h2-15H,1H3/b21-15-
InChIKey ALMSDZAMBRECID-QNGOZBTKSA-N
Molecular Weight 463.464 g/mol
SMILES C1(\C(C(=NN1c1ccc(N(=O)=O)cc1)C)=C/c1c(OS(=O)(=O)c2ccccc2)cccc1)=O
SPLASH splash10-0a4i-8839000000-36c1c8843f2ae8ac73b0
Synonyms 2-{(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzenesulfonate Benzenesulfonic acid 2-[3-methyl-1-(4-nitro-phenyl)-5-oxo-1,5-dihydro-pyrazol-4-ylidenemethyl]-phenyl ester benzenesulfonic acid[2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]phenyl]ester benzenesulfonic acid[2-[(Z)-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]phenyl]ester [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl]benzenesulfonate [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenyl]benzenesulfonate benzenesulfonic acid [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]phenyl] ester [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl] benzenesulfonate [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenyl] benzenesulfonate [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] benzenesulfonate
Wiley ID 1437375