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5,5-bis(Phenylsulfonyl)octa-2,7-dienyl) acetate
SpectraBase Compound ID KxbqpqlImL0
InChI InChI=1S/C22H24O6S2/c1-3-16-22(17-10-11-18-28-19(2)23,29(24,25)20-12-6-4-7-13-20)30(26,27)21-14-8-5-9-15-21/h3-15H,1,16-18H2,2H3/b11-10+
InChIKey NEBVUQBXDBHMJX-ZHACJKMWSA-N
Mol Weight 448.55 g/mol
Molecular Formula C22H24O6S2
Exact Mass 448.101431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ARIkBOU8a7
Name 5,5-bis(Phenylsulfonyl)octa-2,7-dienyl) acetate
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Formula C22H24O6S2
InChI InChI=1S/C22H24O6S2/c1-3-16-22(17-10-11-18-28-19(2)23,29(24,25)20-12-6-4-7-13-20)30(26,27)21-14-8-5-9-15-21/h3-15H,1,16-18H2,2H3/b11-10+
InChIKey NEBVUQBXDBHMJX-ZHACJKMWSA-N
Molecular Weight 448.548 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)(C\C=C\COC(=O)C)CC=C
SPLASH splash10-004i-4910000000-8849aae33388eed07b23
Source of Spectrum H-76-1271-2
Synonyms (2E)-5,5-bis(phenylsulfonyl)-2,7-octadienyl acetate Acetic acid[(2E)-5,5-bis(benzenesulfonyl)octa-2,7-dienyl]ester Acetic acid[(2E)-5,5-dibesylocta-2,7-dienyl]ester [(2E)-5,5-bis(benzenesulfonyl)octa-2,7-dienyl]acetate [(2E)-5,5-bis(phenylsulfonyl)octa-2,7-dienyl]ethanoate Acetic acid [(2E)-5,5-bis(benzenesulfonyl)octa-2,7-dienyl] ester [(2E)-5,5-bis(benzenesulfonyl)octa-2,7-dienyl] acetate [(2E)-5,5-bis(phenylsulfonyl)octa-2,7-dienyl] ethanoate
Wiley ID 1387095