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

View entire compound with spectra: 1 MS (GC)

5-[[4-[[(5-carbomethoxy-2-thioxo-1,3-dithiol-4-yl)thio]methyl]benzyl]thio]-2-thioxo-1,3-dithiole-4-carboxylic acid methyl ester
SpectraBase Compound ID 2Qc8E8zjtkl
InChI InChI=1S/C18H14O4S8/c1-21-13(19)11-15(29-17(23)27-11)25-7-9-3-5-10(6-4-9)8-26-16-12(14(20)22-2)28-18(24)30-16/h3-6H,7-8H2,1-2H3
InChIKey VDQLKVNJKZDVQK-UHFFFAOYSA-N
Mol Weight 550.8 g/mol
Molecular Formula C18H14O4S8
Exact Mass 549.865778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LW1eZhj6iw
Name 5-[[4-[[(5-carbomethoxy-2-thioxo-1,3-dithiol-4-yl)thio]methyl]benzyl]thio]-2-thioxo-1,3-dithiole-4-carboxylic acid methyl ester
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Formula C18H14O4S8
InChI InChI=1S/C18H14O4S8/c1-21-13(19)11-15(29-17(23)27-11)25-7-9-3-5-10(6-4-9)8-26-16-12(14(20)22-2)28-18(24)30-16/h3-6H,7-8H2,1-2H3
InChIKey VDQLKVNJKZDVQK-UHFFFAOYSA-N
Molecular Weight 550.786 g/mol
SMILES C1(=C(SC(S1)=S)SCc1ccc(CSC2=C(SC(S2)=S)C(=O)OC)cc1)C(=O)OC
SPLASH splash10-004i-0009050000-f61d938d2e3f08e00d5b
Source of Spectrum J-62-4940-2
Synonyms 5-[[4-[[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)thio]methyl]phenyl]methylthio]-2-sulfanylidene-1,3-dithiole-4-carboxylic acid methyl ester Methyl 5-[[4-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate Methyl 5-[[4-[(5-methoxycarbonyl-2-thioxo-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate
Wiley ID 1405626