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3,6-Diketo-2-[[keto(dimethyl)persulfuranylidene]amino]-5-(p-toluidino)cyclohexa-1,4-diene-1-carboxylic acid methyl ester
SpectraBase Compound ID 46ntboDOJmf
InChI InChI=1S/C17H18N2O5S/c1-10-5-7-11(8-6-10)18-12-9-13(20)15(19-25(3,4)23)14(16(12)21)17(22)24-2/h5-9,18H,1-4H3
InChIKey XKRIBRFVDGUICK-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C17H18N2O5S
Exact Mass 362.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O3bJ1kEP2n
Name 3,6-Diketo-2-[[keto(dimethyl)persulfuranylidene]amino]-5-(p-toluidino)cyclohexa-1,4-diene-1-carboxylic acid methyl ester
CAS Registry Number 99336-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O5S
InChI InChI=1S/C17H18N2O5S/c1-10-5-7-11(8-6-10)18-12-9-13(20)15(19-25(3,4)23)14(16(12)21)17(22)24-2/h5-9,18H,1-4H3
InChIKey XKRIBRFVDGUICK-UHFFFAOYSA-N
Molecular Weight 362.400 g/mol
SMILES N(C1=CC(C(=C(C1=O)C(=O)OC)N=S(=O)(C)C)=O)c1ccc(cc1)C
SPLASH splash10-0a4i-0908000000-a6a1f3e236578479c812
Source of Spectrum Y-22-703-2
Synonyms 2-[[dimethyl(oxo)-$l^{6}-sulfanylidene]amino]-5-(4-methylanilino)-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester Methyl 2-[[dimethyl(oxo)-$l^{6}-sulfanylidene]amino]-5-(4-methylanilino)-3,6-dioxocyclohexa-1,4-diene-1-carboxylate Methyl 2-[[dimethyl(oxo)-$l^{6}-sulfanylidene]amino]-5-(4-methylanilino)-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate
Wiley ID 1349387