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2-{[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 2Y5DydaUH6U
InChI InChI=1S/C24H19N3O6S/c1-16-7-13-21(14-8-16)34(31,32)33-23-6-4-3-5-18(23)15-22-17(2)25-26(24(22)28)19-9-11-20(12-10-19)27(29)30/h3-15H,1-2H3/b22-15-
InChIKey RTXAMYWWRMKIAR-JCMHNJIXSA-N
Mol Weight 477.49 g/mol
Molecular Formula C24H19N3O6S
Exact Mass 477.099457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WJ6fXbTyA0
Name 2-{[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19N3O6S
InChI InChI=1S/C24H19N3O6S/c1-16-7-13-21(14-8-16)34(31,32)33-23-6-4-3-5-18(23)15-22-17(2)25-26(24(22)28)19-9-11-20(12-10-19)27(29)30/h3-15H,1-2H3/b22-15-
InChIKey RTXAMYWWRMKIAR-JCMHNJIXSA-N
Molecular Weight 477.491 g/mol
SMILES C1(\C(C(=NN1c1ccc(N(=O)=O)cc1)C)=C/c1c(OS(c2ccc(cc2)C)(=O)=O)cccc1)=O
SPLASH splash10-0a4i-2429000000-a1289ac3a38b0db74dfc
Synonyms 2-{(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]phenyl]ester 4-Methylbenzenesulfonic acid[2-[(Z)-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]phenyl]ester Toluene-4-sulfonic acid 2-[3-methyl-1-(4-nitro-phenyl)-5-oxo-1,5-dihydro-pyrazol-4-ylidenemethyl]-phenyl ester [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl]4-methylbenzenesulfonate [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic 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] 4-methylbenzenesulfonate [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate [2-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] 4-methylbenzenesulfonate
Wiley ID 1454521