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1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-3,5,8,10-tetraene-2,7-diylidenebis-, (.+-.)-
SpectraBase Compound ID A7V0NzXwz3x
InChI InChI=1S/C25H16S4/c1-2-12-21-20(11-1)26-24(27-21)18-9-5-8-17-15-16(18)7-6-10-19(17)25-28-22-13-3-4-14-23(22)29-25/h1-14H,15H2
InChIKey LDFUFFDLYNOJIK-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C25H16S4
Exact Mass 444.013485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9G6IMUShMdw
Name 1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-3,5,8,10-tetraene-2,7-diylidenebis-, (.+-.)-
CAS Registry Number 90857-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16S4
InChI InChI=1S/C25H16S4/c1-2-12-21-20(11-1)26-24(27-21)18-9-5-8-17-15-16(18)7-6-10-19(17)25-28-22-13-3-4-14-23(22)29-25/h1-14H,15H2
InChIKey LDFUFFDLYNOJIK-UHFFFAOYSA-N
Molecular Weight 444.643 g/mol
SMILES C1(Sc2ccccc2S1)=C1C=2CC(C(=C3Sc4ccccc4S3)C=CC2)=CC=C1
SPLASH splash10-0udi-2923100000-1c42873ced91ffe48093
Source of Spectrum H-67-580-0
Synonyms (+-)-2,2'-(Bicyclo[4.4.1]undeca-3'',5'',8'',10''-tetraen-2'',7''-diylidene)bis(2H-1,3- benzodithiol) (+-)-2,2'-(Bicyclo[4.4.1]undeca-3'',5'',8'',10''-tetraen-2'',7''-diylidene)bis(2H-1,3- benzodithiol) 2-[7-(1,3-benzodithiol-2-ylidene)bicyclo[4.4.1]undeca-1(10),3,5,8-tetraen-2-ylidene]-1,3-benzodithiole Bicyclo[4.4.1]undecane, 1,3-benzodithiole deriv.
Wiley ID 1386016