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(syn,anti) and (syn,syn)-2,12-Dithia[3.3](4,6) indanophane-2,2,12,12-tetraoxide
SpectraBase Compound ID 9XFJBmAjazj
InChI InChI=1S/C22H24O4S2/c23-27(24)11-15-7-17-3-1-5-21(17)19(9-15)13-28(25,26)14-20-10-16(12-27)8-18-4-2-6-22(18)20/h7-10H,1-6,11-14H2
InChIKey BPQWMAVCGXCLPL-UHFFFAOYSA-N
Mol Weight 416.55 g/mol
Molecular Formula C22H24O4S2
Exact Mass 416.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERyaCXbJxQt
Name (syn,anti) and (syn,syn)-2,12-Dithia[3.3](4,6) indanophane-2,2,12,12-tetraoxide
Alternate Name(s) 3,14-dithiapentacyclo[14.6.1.1(5,12).0(6,10).0(18,22)]tetracosa-1(22),5,10,12(24),16(23),17-hexaene 3,3,14,14-tetraoxide
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Formula C22H24O4S2
InChI InChI=1S/C22H24O4S2/c23-27(24)11-15-7-17-3-1-5-21(17)19(9-15)13-28(25,26)14-20-10-16(12-27)8-18-4-2-6-22(18)20/h7-10H,1-6,11-14H2
InChIKey BPQWMAVCGXCLPL-UHFFFAOYSA-N
Molecular Weight 416.550 g/mol
SMILES C1S(Cc2cc(CS(Cc3cc4c(c1c3)CCC4)(=O)=O)cc1c2CCC1)(=O)=O
SPLASH splash10-06vl-0950000000-24c5b6fde1c8ec417892
Source of Spectrum K-126-174-29
Wiley ID 1376293