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2-(4,5-Bis-pentylsulfanyl-[1,3]dithiol-2-ylidene)-benzo[1,3]dithiole-4,7-dione
SpectraBase Compound ID A5tZso0mN26
InChI InChI=1S/C20H24O2S6/c1-3-5-7-11-23-17-18(24-12-8-6-4-2)28-20(27-17)19-25-15-13(21)9-10-14(22)16(15)26-19/h9-10H,3-8,11-12H2,1-2H3
InChIKey NHXGPNHYDBBJCK-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C20H24O2S6
Exact Mass 488.010057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pifcSBW3l
Name 2-(4,5-Bis-pentylsulfanyl-[1,3]dithiol-2-ylidene)-benzo[1,3]dithiole-4,7-dione
Alternate Name(s) 2,3-Bis(pentylsulfanyl)-6,7-(1,4-dioxo-1,4-dihydrobenzo)tetrathiafulvalene 2-[4,5-Bis(pentylmercapto)-2-ylidene]-1,3-dithiaol[d]-p-benzoquinone 2-[4,5-bis(pentylthio)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-dione 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-4,7-dione
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Formula C20H24O2S6
InChI InChI=1S/C20H24O2S6/c1-3-5-7-11-23-17-18(24-12-8-6-4-2)28-20(27-17)19-25-15-13(21)9-10-14(22)16(15)26-19/h9-10H,3-8,11-12H2,1-2H3
InChIKey NHXGPNHYDBBJCK-UHFFFAOYSA-N
Molecular Weight 488.770 g/mol
SMILES C12=C(SC(S2)=C2SC(SCCCCC)=C(S2)SCCCCC)C(=O)C=CC1=O
SPLASH splash10-005j-0097400000-38342f678d3cb955c296
Source of Spectrum F-69-2177-10
Wiley ID 1594827