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2,5-[Bis((4,5-di(methoxycarbonyl)-1,3-dithiaol-2-ylidene)methyl]thiophene
SpectraBase Compound ID F2KgX6AiLhd
InChI InChI=1S/C20H16O8S5/c1-25-17(21)13-14(18(22)26-2)31-11(30-13)7-9-5-6-10(29-9)8-12-32-15(19(23)27-3)16(33-12)20(24)28-4/h5-8H,1-4H3
InChIKey QWIJASWLYCNRDV-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C20H16O8S5
Exact Mass 543.944873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LU4Rl7ZAdB
Name 2,5-[Bis((4,5-di(methoxycarbonyl)-1,3-dithiaol-2-ylidene)methyl]thiophene
Alternate Name(s) Dimethyl 2-[(5-{[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl}-2-thienyl)methylene]-1,3-dithiole-4,5-dicarboxylate
CAS Registry Number 141198-35-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O8S5
InChI InChI=1S/C20H16O8S5/c1-25-17(21)13-14(18(22)26-2)31-11(30-13)7-9-5-6-10(29-9)8-12-32-15(19(23)27-3)16(33-12)20(24)28-4/h5-8H,1-4H3
InChIKey QWIJASWLYCNRDV-UHFFFAOYSA-N
Molecular Weight 544.640 g/mol
SMILES C1(=C(SC(S1)=Cc1sc(C=C2SC(C(=O)OC)=C(S2)C(=O)OC)cc1)C(=O)OC)C(=O)OC
SPLASH splash10-0007-0001090000-66d7c8a1d48c0782a6a7
Source of Spectrum C-114-5039-12
Wiley ID 1404994