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3,13-Dithiapentacyclo[13.5.3.3(5,11).0(8,25).0(18,22)]hexacosa-1(21),5,7,9, 11(24),15,17,19,22,25-decaene, 3,3,13,13-tetraoxide

View entire compound with spectra: 1 MS (GC)

3,13-Dithiapentacyclo[13.5.3.3(5,11).0(8,25).0(18,22)]hexacosa-1(21),5,7,9, 11(24),15,17,19,22,25-decaene, 3,3,13,13-tetraoxide
SpectraBase Compound ID BZZdmcFPrVd
InChI InChI=1S/C24H20O4S2/c25-29(26)13-17-1-5-21-6-2-18(10-23(21)9-17)15-30(27,28)16-20-4-8-22-7-3-19(14-29)11-24(22)12-20/h1-12H,13-16H2
InChIKey WYAILSWHMPLKJU-UHFFFAOYSA-N
Mol Weight 436.54 g/mol
Molecular Formula C24H20O4S2
Exact Mass 436.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZVzXvA8JHt
Name 3,13-Dithiapentacyclo[13.5.3.3(5,11).0(8,25).0(18,22)]hexacosa-1(21),5,7,9, 11(24),15,17,19,22,25-decaene, 3,3,13,13-tetraoxide
Alternate Name(s) 2,13-Dithia[3,3](2,7)naphthalenophane s,S,s',s'-tetraoxide 2,13-Dithia[3,3](2,7)naphthalenophane s,S,s',s'-tetroxide
CAS Registry Number 58545-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20O4S2
InChI InChI=1S/C24H20O4S2/c25-29(26)13-17-1-5-21-6-2-18(10-23(21)9-17)15-30(27,28)16-20-4-8-22-7-3-19(14-29)11-24(22)12-20/h1-12H,13-16H2
InChIKey WYAILSWHMPLKJU-UHFFFAOYSA-N
Molecular Weight 436.540 g/mol
SMILES C1S(=O)(=O)Cc2cc3cc(CS(Cc4cc5cc1ccc5cc4)(=O)=O)ccc3cc2
SPLASH splash10-0pb9-0904000000-7d19d5d987bf19754cd6
Source of Spectrum B-29-170-0
Wiley ID 1383478