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7,9,16,18-Tetraphenyl-2,11-dithia[3.3](3,5)-pyranophan-5,14-dione, 2,2,11,11-tetroxide
SpectraBase Compound ID 9u5OEHgNk1g
InChI InChI=1S/C38H28O8S2/c39-33-29-21-47(41,42)23-31-34(40)32(38(28-19-11-4-12-20-28)46-37(31)27-17-9-3-10-18-27)24-48(43,44)22-30(33)36(26-15-7-2-8-16-26)45-35(29)25-13-5-1-6-14-25/h1-20H,21-24H2
InChIKey CTQQTHHECXJNIE-UHFFFAOYSA-N
Mol Weight 676.8 g/mol
Molecular Formula C38H28O8S2
Exact Mass 676.12256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vlh0x4NaS
Name 7,9,16,18-Tetraphenyl-2,11-dithia[3.3](3,5)-pyranophan-5,14-dione, 2,2,11,11-tetroxide
Alternate Name(s) 1(2),1(6),5(2),5(6)-tetraphenyl-1(4)H,5(4)H-3,7-dithia-1,5(3,5)-dipyranacyclooctaphane-1(4),5(4)-dione 3,3,7,7-tetraoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H28O8S2
InChI InChI=1S/C38H28O8S2/c39-33-29-21-47(41,42)23-31-34(40)32(38(28-19-11-4-12-20-28)46-37(31)27-17-9-3-10-18-27)24-48(43,44)22-30(33)36(26-15-7-2-8-16-26)45-35(29)25-13-5-1-6-14-25/h1-20H,21-24H2
InChIKey CTQQTHHECXJNIE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19933350603
Molecular Weight 676.754 g/mol
SMILES c1ccc(C2=C3CS(CC=4C(=O)C(CS(=O)(=O)CC(C3=O)=C(O2)c2ccccc2)=C(OC4c2ccccc2)c2ccccc2)(=O)=O)cc1
SPLASH splash10-0a6s-5940080000-55c976c0836358ddc2ad
Source of Spectrum JF-335-512-7
Wiley ID 1789810