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4,5-Bis(p-benzoyloxybenzylsulfanyl)-4',5'-bis(methylsulfanyl)tetrathiafulvalene

View entire compound with spectra: 1 MS (GC)

4,5-Bis(p-benzoyloxybenzylsulfanyl)-4',5'-bis(methylsulfanyl)tetrathiafulvalene
SpectraBase Compound ID LN2uiyuRJLb
InChI InChI=1S/C36H28O4S8/c1-41-31-32(42-2)46-35(45-31)36-47-33(43-21-23-13-17-27(18-14-23)39-29(37)25-9-5-3-6-10-25)34(48-36)44-22-24-15-19-28(20-16-24)40-30(38)26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3
InChIKey ZTHBWTVTNAYZOS-UHFFFAOYSA-N
Mol Weight 781.1 g/mol
Molecular Formula C36H28O4S8
Exact Mass 779.975329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 975DwC3Tb6e
Name 4,5-Bis(p-benzoyloxybenzylsulfanyl)-4',5'-bis(methylsulfanyl)tetrathiafulvalene
Alternate Name(s) 4-({[5-({[4-(benzoyloxy)phenyl]methyl}sulfanyl)-2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl]sulfanyl}methyl)phenyl benzoate benzoic acid[4-[[[5-[(4-benzoyloxybenzyl)thio]-2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]methyl]phenyl]ester benzoic acid[4-[[[5-[(4-benzoyloxyphenyl)methylthio]-2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]methyl]phenyl]ester [4-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-[[4-(phenylcarbonyloxy)phenyl]methylsulfanyl]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]benzoate [4-[[5-[(4-benzoyloxyphenyl)methylsulfanyl]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]benzoate benzoic acid [4-[[[5-[(4-benzoyloxyphenyl)methylthio]-2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]thio]methyl]phenyl] ester [4-[[5-[(4-benzoyloxyphenyl)methylsulfanyl]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] benzoate [4-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-[[4-(phenylcarbonyloxy)phenyl]methylsulfanyl]-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] benzoate
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Formula C36H28O4S8
InChI InChI=1S/C36H28O4S8/c1-41-31-32(42-2)46-35(45-31)36-47-33(43-21-23-13-17-27(18-14-23)39-29(37)25-9-5-3-6-10-25)34(48-36)44-22-24-15-19-28(20-16-24)40-30(38)26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3
InChIKey ZTHBWTVTNAYZOS-UHFFFAOYSA-N
Molecular Weight 781.096 g/mol
SMILES C1(=C2SC(SC)=C(S2)SC)SC(SCc2ccc(OC(=O)c3ccccc3)cc2)=C(S1)SCc1ccc(OC(=O)c2ccccc2)cc1
SPLASH splash10-052r-0905040400-2c91756e30c37224790d
Source of Spectrum KC-0-2719-20
Wiley ID 782267