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Dimethyl ester of (E)-2-[4-[4,5-bis(methoxycarbonyl)-1,3-diothiol-2-ylidene]-2-cyclohexen-1-ylidene]-1,3-dithiole-4,5-dicarboxylic acid 1-oxide

View entire compound with spectra: 1 MS (GC)

Dimethyl ester of (E)-2-[4-[4,5-bis(methoxycarbonyl)-1,3-diothiol-2-ylidene]-2-cyclohexen-1-ylidene]-1,3-dithiole-4,5-dicarboxylic acid 1-oxide
SpectraBase Compound ID CQhYpRldaou
InChI InChI=1S/C20H18O9S4/c1-26-15(21)11-12(16(22)27-2)31-19(30-11)9-5-7-10(8-6-9)20-32-13(17(23)28-3)14(33(20)25)18(24)29-4/h5,7H,6,8H2,1-4H3/b20-10-
InChIKey JJGHQHLKTGDDKH-JMIUGGIZSA-N
Mol Weight 530.6 g/mol
Molecular Formula C20H18O9S4
Exact Mass 529.983367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TiEvRZyMkC
Name Dimethyl ester of (E)-2-[4-[4,5-bis(methoxycarbonyl)-1,3-diothiol-2-ylidene]-2-cyclohexen-1-ylidene]-1,3-dithiole-4,5-dicarboxylic acid 1-oxide
CAS Registry Number 68630-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O9S4
InChI InChI=1S/C20H18O9S4/c1-26-15(21)11-12(16(22)27-2)31-19(30-11)9-5-7-10(8-6-9)20-32-13(17(23)28-3)14(33(20)25)18(24)29-4/h5,7H,6,8H2,1-4H3/b20-10-
InChIKey JJGHQHLKTGDDKH-JMIUGGIZSA-N
Molecular Weight 530.595 g/mol
SMILES C=1(S(\C(SC1C(=O)OC)=C\1C=CC(=C2SC(C(=O)OC)=C(S2)C(=O)OC)CC1)=O)C(=O)OC
SPLASH splash10-0300-0004390000-937309b752656bf4ddb3
Source of Spectrum J-44-933-0
Synonyms Dimethyl (2E)-2-{4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-cyclohexen-1-ylidene}-1,3-dithiole-4,5-dicarboxylate 1-oxide
Wiley ID 1403256