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7,20-Dithiapentacyclo[20.2.2.2(2,5).1(9,13).1(14,18)]triaconta-2,4,9,11,13(28),14,16,18(27),22,24,25,29-dodecaene, 7,7,20,20-tetraoxide

View entire compound with spectra: 1 MS (GC)

7,20-Dithiapentacyclo[20.2.2.2(2,5).1(9,13).1(14,18)]triaconta-2,4,9,11,13(28),14,16,18(27),22,24,25,29-dodecaene, 7,7,20,20-tetraoxide
SpectraBase Compound ID CAr0wkTATXf
InChI InChI=1S/C28H24O4S2/c29-33(30)17-22-9-13-26(14-10-22)28-6-2-4-24(16-28)20-34(31,32)18-21-7-11-25(12-8-21)27-5-1-3-23(15-27)19-33/h1-16H,17-20H2
InChIKey PDCLZJBNADAEEP-UHFFFAOYSA-N
Mol Weight 488.62 g/mol
Molecular Formula C28H24O4S2
Exact Mass 488.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BHeQhSLJup
Name 7,20-Dithiapentacyclo[20.2.2.2(2,5).1(9,13).1(14,18)]triaconta-2,4,9,11,13(28),14,16,18(27),22,24,25,29-dodecaene, 7,7,20,20-tetraoxide
CAS Registry Number 73761-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O4S2
InChI InChI=1S/C28H24O4S2/c29-33(30)17-22-9-13-26(14-10-22)28-6-2-4-24(16-28)20-34(31,32)18-21-7-11-25(12-8-21)27-5-1-3-23(15-27)19-33/h1-16H,17-20H2
InChIKey PDCLZJBNADAEEP-UHFFFAOYSA-N
Molecular Weight 488.616 g/mol
SMILES C1S(=O)(=O)Cc2ccc(-c3cc(CS(Cc4ccc(-c5cc1ccc5)cc4)(=O)=O)ccc3)cc2
SPLASH splash10-00ls-0409000000-eca9557a1212f9418c8f
Source of Spectrum B-33-830-0
Synonyms 2,17-Dithia[3,3](3,3',4,4')biphenylophane s,S,s',s'-tetroxide 8,20-dithiapentacyclo[20.2.2.2(10,13).1(2,6).1(14,18)]triaconta-1(24),2(30),3,5,10,12,14(29),15,17,22,25,27-dodecaene 8,8,20,20-tetraoxide
Wiley ID 1396890