For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl benzenesulfonate

View entire compound with spectra: 1 MS (GC)

4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl benzenesulfonate
SpectraBase Compound ID 1FqL30Rw3Ju
InChI InChI=1S/C18H14N2O6S2/c1-25-15-10-11(9-13-16(21)19-18(27)20-17(13)22)7-8-14(15)26-28(23,24)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,27)
InChIKey WRZAEHAIMPRICA-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C18H14N2O6S2
Exact Mass 418.029329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2k38ISYv4q
Name 4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl benzenesulfonate
Alternate Name(s) Benzenesulfonic acid 4-(4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-2-methoxy-phenyl ester benzenesulfonic acid[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl]ester benzenesulfonic acid[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]ester [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]benzenesulfonate [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl]benzenesulfonate [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl]benzenesulfonate benzenesulfonic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] ester [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] benzenesulfonate [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] benzenesulfonate [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] benzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2O6S2
InChI InChI=1S/C18H14N2O6S2/c1-25-15-10-11(9-13-16(21)19-18(27)20-17(13)22)7-8-14(15)26-28(23,24)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21,22,27)
InChIKey WRZAEHAIMPRICA-UHFFFAOYSA-N
Molecular Weight 418.438 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OC)c(OS(=O)(=O)c2ccccc2)cc1)=O)=S
SPLASH splash10-004l-9430000000-93f24713aa521a5f0800
Wiley ID 1448225