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2,3,5-Trichloro-6-[2-(2-{2-[2-(2-{2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-[1,3]dithiol-4-ylsulfanyl]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-
SpectraBase Compound ID 83XXcPuqhBc
InChI InChI=1S/C26H29Cl3O8S7/c27-17-18(28)21(31)22(19(29)20(17)30)37-10-9-35-6-5-33-2-1-32-3-4-34-7-8-36-11-12-38-16-15-41-25(42-16)26-43-23-24(44-26)40-14-13-39-23/h15H,1-14H2
InChIKey UIFHVXIPKJRSKX-UHFFFAOYSA-N
Mol Weight 800.3 g/mol
Molecular Formula C26H29Cl3O8S7
Exact Mass 797.897299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IVfxN1eKrQ
Name 2,3,5-Trichloro-6-[2-(2-{2-[2-(2-{2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-[1,3]dithiol-4-ylsulfanyl]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-
Alternate Name(s) 2-{(3''',5''',6'''-Trichloro-1''',4'''-quinon-2'''-yl)-hexakis(oxyethyl)}-thio-(2'',4''-dithiacyclopent-1''-ene-3''-ylidene}-1,3,5,8-tetrathiabicyclo[4.3.0(4,9)]-non-4-ene ethoxy)-ethoxy]-[1,4]benzoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C26H29Cl3O8S7
InChI InChI=1S/C26H29Cl3O8S7/c27-17-18(28)21(31)22(19(29)20(17)30)37-10-9-35-6-5-33-2-1-32-3-4-34-7-8-36-11-12-38-16-15-41-25(42-16)26-43-23-24(44-26)40-14-13-39-23/h15H,1-14H2
InChIKey UIFHVXIPKJRSKX-UHFFFAOYSA-N
Molecular Weight 800.289 g/mol
SMILES C1(SC=2SCCSC2S1)=C1SC(SCCOCCOCCOCCOCCOCCOC2=C(C(C(Cl)=C(C2=O)Cl)=O)Cl)=CS1
SPLASH splash10-0udi-0000000390-ea88027eda31a3696660
Source of Spectrum C-129-6846-Dyad-1
Wiley ID 1701894