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2,3,5-Trichloro-6-{2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-[1,3]dithiol-4-ylsulfanyl]-ethoxy}-[1,4]benzoquinone

View entire compound with spectra: 1 MS (GC)

2,3,5-Trichloro-6-{2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-[1,3]dithiol-4-ylsulfanyl]-ethoxy}-[1,4]benzoquinone
SpectraBase Compound ID CGpWbkZE232
InChI InChI=1S/C16H9Cl3O3S7/c17-7-8(18)11(21)12(9(19)10(7)20)22-1-2-23-6-5-26-15(27-6)16-28-13-14(29-16)25-4-3-24-13/h5H,1-4H2
InChIKey QCMKKFQWBNRWNV-UHFFFAOYSA-N
Mol Weight 580.0 g/mol
Molecular Formula C16H9Cl3O3S7
Exact Mass 577.766225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iZHv4pRPbt
Name 2,3,5-Trichloro-6-{2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-[1,3]dithiol-4-ylsulfanyl]-ethoxy}-[1,4]benzoquinone
Alternate Name(s) 2-{(3''',5''',6'''-Trichloro-1''',4'''-quinon-2'''-yl)-(oxyethyl)}-thio-(2'',4''-dithiacyclopent-1''-ene-3''-ylidene}-1,3,5,8-tetrathiabicyclo[4.3.0(4,9)]-non-4-ene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9Cl3O3S7
InChI InChI=1S/C16H9Cl3O3S7/c17-7-8(18)11(21)12(9(19)10(7)20)22-1-2-23-6-5-26-15(27-6)16-28-13-14(29-16)25-4-3-24-13/h5H,1-4H2
InChIKey QCMKKFQWBNRWNV-UHFFFAOYSA-N
Molecular Weight 580.024 g/mol
SMILES C1(SC=2SCCSC2S1)=C1SC(SCCOC2=C(C(=O)C(=C(C2=O)Cl)Cl)Cl)=CS1
SPLASH splash10-001i-0000090000-687ab8d9c3f515656519
Source of Spectrum C-129-6846-Dyad-3
Wiley ID 1701893