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5,5'-[4,4'-Oxybis(phenylthio)]bisacenaphthenequinone
SpectraBase Compound ID 1EsuO4REFJ
InChI InChI=1S/C36H18O5S2/c37-33-25-5-1-3-23-29(17-15-27(31(23)25)35(33)39)42-21-11-7-19(8-12-21)41-20-9-13-22(14-10-20)43-30-18-16-28-32-24(30)4-2-6-26(32)34(38)36(28)40/h1-18H
InChIKey SSXQITUFOKTWQP-UHFFFAOYSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H18O5S2
Exact Mass 594.059566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11koSZPMN0n
Name 5,5'-[4,4'-OXYBIS(PHENYLTHIO)]BISACENAPHTHENEQUINONE
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Formula C36H18O5S2
InChI InChI=1S/C36H18O5S2/c37-33-25-5-1-3-23-29(17-15-27(31(23)25)35(33)39)42-21-11-7-19(8-12-21)41-20-9-13-22(14-10-20)43-30-18-16-28-32-24(30)4-2-6-26(32)34(38)36(28)40/h1-18H
InChIKey SSXQITUFOKTWQP-UHFFFAOYSA-N
Molecular Weight 594.0591
SMILES c1c2C(C(=O)c3c2c(c(Sc2ccc(Oc4ccc(Sc5ccc6C(C(=O)c7c6c5ccc7)=O)cc4)cc2)cc3)cc1)=O
SPLASH splash10-0cn9-9420000000-1f7c686a300f0be1127c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany