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3,16-Dithiatetracyclo[16.2.2.1(5,9).1(10,14)]tetracosa-5,7,9(24),10,12,14 (23),18,20,21-nonaene, 3,3,16,16-tetraoxide
SpectraBase Compound ID 35d80nVcNH4
InChI InChI=1S/C22H20O4S2/c23-27(24)13-17-7-9-18(10-8-17)14-28(25,26)16-20-4-2-6-22(12-20)21-5-1-3-19(11-21)15-27/h1-12H,13-16H2
InChIKey VUUWQXXYUJPKJR-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C22H20O4S2
Exact Mass 412.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHvI9aZNtFd
Name 3,16-Dithiatetracyclo[16.2.2.1(5,9).1(10,14)]tetracosa-5,7,9(24),10,12,14 (23),18,20,21-nonaene, 3,3,16,16-tetraoxide
Alternate Name(s) 2,11-Dithia[3,3](3,3')biphenylparacyclophane s,S,s',s'-tetroxide 3,16-dithiatetracyclo[16.2.2.1(5,9).1(10,14)]tetracosa-1(20),5(24),6,8,10(23),11,13,18,21-nonaene 3,3,16,16-tetraoxide
CAS Registry Number 61983-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O4S2
InChI InChI=1S/C22H20O4S2/c23-27(24)13-17-7-9-18(10-8-17)14-28(25,26)16-20-4-2-6-22(12-20)21-5-1-3-19(11-21)15-27/h1-12H,13-16H2
InChIKey VUUWQXXYUJPKJR-UHFFFAOYSA-N
Molecular Weight 412.518 g/mol
SMILES C1S(=O)(=O)Cc2ccc(CS(Cc3cc(-c4cc1ccc4)ccc3)(=O)=O)cc2
SPLASH splash10-001i-0960100000-686047bb2d89505f9622
Source of Spectrum B-29-1274-0
Wiley ID 1374367