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3,4-Dinitro-benzenesulfonic acid 4-[1-(4-fluoro-phenyl)-3,5-dioxo-pyrazolidin-4-ylidenemethyl]-2-methoxy-phenyl ester

View entire compound with spectra: 1 MS (GC)

3,4-Dinitro-benzenesulfonic acid 4-[1-(4-fluoro-phenyl)-3,5-dioxo-pyrazolidin-4-ylidenemethyl]-2-methoxy-phenyl ester
SpectraBase Compound ID GAj6IZwVEQ3
InChI InChI=1S/C23H15FN4O10S/c1-37-21-11-13(10-17-22(29)25-26(23(17)30)15-5-3-14(24)4-6-15)2-9-20(21)38-39(35,36)16-7-8-18(27(31)32)19(12-16)28(33)34/h2-12H,1H3,(H,25,29)/b17-10+
InChIKey PJSNKSZOCDGHJD-LICLKQGHSA-N
Mol Weight 558.45 g/mol
Molecular Formula C23H15FN4O10S
Exact Mass 558.049292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhGxam3CEVb
Name 3,4-Dinitro-benzenesulfonic acid 4-[1-(4-fluoro-phenyl)-3,5-dioxo-pyrazolidin-4-ylidenemethyl]-2-methoxy-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15FN4O10S
InChI InChI=1S/C23H15FN4O10S/c1-37-21-11-13(10-17-22(29)25-26(23(17)30)15-5-3-14(24)4-6-15)2-9-20(21)38-39(35,36)16-7-8-18(27(31)32)19(12-16)28(33)34/h2-12H,1H3,(H,25,29)/b17-10+
InChIKey PJSNKSZOCDGHJD-LICLKQGHSA-N
Molecular Weight 558.449 g/mol
SMILES N1N(C(\C(C1=O)=C/c1cc(OC)c(OS(c2cc(N(=O)=O)c(cc2)N(=O)=O)(=O)=O)cc1)=O)c1ccc(cc1)F
SPLASH splash10-002e-9700300000-7ef99588b011220b38d0
Synonyms 3,4-Dinitrobenzenesulfonic acid[4-[(E)-[1-(4-fluorophenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl]ester 3,4-Dinitrobenzenesulfonic acid[4-[(E)-[1-(4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl]ester 4-{(E)-[1-(4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-methoxyphenyl 3,4-dinitrobenzenesulfonate 4-{[1-(4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-methoxyphenyl 3,4-dinitrobenzenesulfonate [4-[(E)-[1-(4-fluorophenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl]3,4-dinitrobenzenesulfonate [4-[(E)-[1-(4-fluorophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl]3,4-dinitrobenzenesulfonate 3,4-Dinitrobenzenesulfonic acid [4-[(E)-[1-(4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl] ester [4-[(E)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-methoxyphenyl] 3,4-dinitrobenzenesulfonate [4-[(E)-[1-(4-fluorophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 3,4-dinitrobenzenesulfonate [4-[(E)-[1-(4-fluorophenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 3,4-dinitrobenzenesulfonate
Wiley ID 1436697