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5-[[4-[[(5-carbomethoxy-2-keto-1,3-dithiol-4-yl)thio]methyl]benzyl]thio]-2-keto-1,3-dithiole-4-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

5-[[4-[[(5-carbomethoxy-2-keto-1,3-dithiol-4-yl)thio]methyl]benzyl]thio]-2-keto-1,3-dithiole-4-carboxylic acid methyl ester
SpectraBase Compound ID 3de3K4FCVuM
InChI InChI=1S/C18H14O6S6/c1-23-13(19)11-15(29-17(21)27-11)25-7-9-3-5-10(6-4-9)8-26-16-12(14(20)24-2)28-18(22)30-16/h3-6H,7-8H2,1-2H3
InChIKey UKQPYVYBZJWADZ-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C18H14O6S6
Exact Mass 517.911465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5Il0nNsik7
Name 5-[[4-[[(5-carbomethoxy-2-keto-1,3-dithiol-4-yl)thio]methyl]benzyl]thio]-2-keto-1,3-dithiole-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O6S6
InChI InChI=1S/C18H14O6S6/c1-23-13(19)11-15(29-17(21)27-11)25-7-9-3-5-10(6-4-9)8-26-16-12(14(20)24-2)28-18(22)30-16/h3-6H,7-8H2,1-2H3
InChIKey UKQPYVYBZJWADZ-UHFFFAOYSA-N
Molecular Weight 518.664 g/mol
SMILES C1(=C(SC(S1)=O)SCc1ccc(CSC2=C(SC(S2)=O)C(=O)OC)cc1)C(=O)OC
SPLASH splash10-03f0-0094000000-efd5179baa6d0a5f9507
Source of Spectrum J-62-4941-3
Synonyms 5-[[4-[[(5-methoxycarbonyl-2-oxo-1,3-dithiol-4-yl)thio]methyl]phenyl]methylthio]-2-oxo-1,3-dithiole-4-carboxylic acid methyl ester Methyl 5-[[4-[(5-methoxycarbonyl-2-oxidanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-oxidanylidene-1,3-dithiole-4-carboxylate Methyl 5-[[4-[(5-methoxycarbonyl-2-oxo-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-oxo-1,3-dithiole-4-carboxylate
Wiley ID 1401604