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1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2,7-diylbis-, (+)-
SpectraBase Compound ID 6j3XY2A5Rh3
InChI InChI=1S/C25H18S4/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/h1-14,24-25H,15H2
InChIKey AAWYWJVXSJZEOL-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C25H18S4
Exact Mass 446.029135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KK88ODb1Hix
Name 1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2,7-diylbis-, (+)-
CAS Registry Number 90855-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18S4
InChI InChI=1S/C25H18S4/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/h1-14,24-25H,15H2
InChIKey AAWYWJVXSJZEOL-UHFFFAOYSA-N
Molecular Weight 446.659 g/mol
SMILES C1(Sc2ccccc2S1)C1=C2CC(C(C3Sc4ccccc4S3)=CC=C2)=CC=C1
SPLASH splash10-0udi-2901000000-d86f8f06e6aee9800dfd
Source of Spectrum H-67-579-0
Synonyms (+)-2,2'-(Bicyclo[4.4.1]undeca-1'',3'',5'',7'',9''-pentaene-2'',7''-diyl)bis(2H-1,3-benzodithiol) (+)-2,2'-(Bicyclo[4.4.1]undeca-1'',3'',5'',7'',9''-pentaene-2'',7''-diyl)bis(2H-1,3-benzodithiol) 2-[7-(1,3-benzodithiol-2-yl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-yl]-1,3-benzodithiole Bicyclo[4.4.1]undecane, 1,3-benzodithiole deriv.
Wiley ID 1386632