2-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methylbenzenesulfonate

SpectraBase Compound ID	2yQRoxDy9yd
InChI	InChI=1S/C18H14N2O6S/c1-11-6-8-13(9-7-11)27(24,25)26-15-5-3-2-4-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKey	NWPHSLFBUCMZSR-UHFFFAOYSA-N Google Search
Mol Weight	386.38 g/mol
Molecular Formula	C18H14N2O6S
Exact Mass	386.057257 g/mol

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SpectraBase Spectrum ID	7yUkuqmVJBn
Name	2-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methylbenzenesulfonate
Alternate Name(s)	4-Methylbenzenesulfonic acid[2-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenyl]ester 4-Methylbenzenesulfonic acid[2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl]ester Toluene-4-sulfonic acid 2-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-phenyl ester [2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl]4-methylbenzenesulfonate [2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenyl]4-methylbenzenesulfonate [2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] ester [2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate [2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate [2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H14N2O6S
InChI	InChI=1S/C18H14N2O6S/c1-11-6-8-13(9-7-11)27(24,25)26-15-5-3-2-4-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKey	NWPHSLFBUCMZSR-UHFFFAOYSA-N
Molecular Weight	386.378 g/mol
SMILES	N1C(NC(C(C1=O)=Cc1c(OS(c2ccc(cc2)C)(=O)=O)cccc1)=O)=O
SPLASH	splash10-014l-9230000000-fc867a747dcc34e3a940
Wiley ID	1453023