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4,5-Bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene

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4,5-Bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene
SpectraBase Compound ID 2Xgf4ZNmUIG
InChI InChI=1S/C26H22O4S8/c1-15(27)29-19-7-3-17(4-8-19)13-33-23-24(34-14-18-5-9-20(10-6-18)30-16(2)28)38-26(37-23)25-35-21-22(36-25)32-12-11-31-21/h3-10H,11-14H2,1-2H3
InChIKey AIJKMZONPHATQC-UHFFFAOYSA-N
Mol Weight 654.9 g/mol
Molecular Formula C26H22O4S8
Exact Mass 653.928379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1TTiYmdcHL
Name 4,5-Bis(p-acetoxybenzylsulfanyl)-4',5'-ethylenedisulfanyltetrathiafulvalene
Alternate Name(s) 4-({[5-{[4-(acetyloxy)benzyl]sulfanyl}-2-(5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl}methyl)phenyl acetate Acetic acid[4-[[[5-[(4-acetoxybenzyl)thio]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]thio]methyl]phenyl]ester Acetic acid[4-[[[5-[(4-acetyloxyphenyl)methylthio]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]thio]methyl]phenyl]ester [4-[[5-[(4-acetoxyphenyl)methylsulfanyl]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]ethanoate Acetic acid [4-[[[5-[(4-acetyloxyphenyl)methylthio]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]thio]methyl]phenyl] ester [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetoxyphenyl)methylsulfanyl]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] ethanoate
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Formula C26H22O4S8
InChI InChI=1S/C26H22O4S8/c1-15(27)29-19-7-3-17(4-8-19)13-33-23-24(34-14-18-5-9-20(10-6-18)30-16(2)28)38-26(37-23)25-35-21-22(36-25)32-12-11-31-21/h3-10H,11-14H2,1-2H3
InChIKey AIJKMZONPHATQC-UHFFFAOYSA-N
Molecular Weight 654.938 g/mol
SMILES C1(=C2SC(SCc3ccc(OC(=O)C)cc3)=C(S2)SCc2ccc(OC(=O)C)cc2)SC=2SCCSC2S1
SPLASH splash10-0a4i-0900001000-f0129349c6e912f8f56f
Source of Spectrum KC-0-2719-7
Wiley ID 782268