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(1R,5R)-3-[[(1R,2S)-2-(Acetoxy)-5-cycloocten-1-yl]oxy]-4H-1,5-benzodithiepine 1,5-dioxide
SpectraBase Compound ID DSUMO5A5HLF
InChI InChI=1S/C19H22O5S2/c1-14(20)23-16-8-4-2-3-5-9-17(16)24-15-12-25(21)18-10-6-7-11-19(18)26(22)13-15/h2-3,6-7,10-12,16-17H,4-5,8-9,13H2,1H3/b3-2-/t16-,17+,25?,26?/m0/s1
InChIKey DHNZJRZLAVTWBJ-WAAJVUOTSA-N
Mol Weight 394.5 g/mol
Molecular Formula C19H22O5S2
Exact Mass 394.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GneJaLhtgKo
Name (1R,5R)-3-[[(1R,2S)-2-(Acetoxy)-5-cycloocten-1-yl]oxy]-4H-1,5-benzodithiepine 1,5-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5S2
InChI InChI=1S/C19H22O5S2/c1-14(20)23-16-8-4-2-3-5-9-17(16)24-15-12-25(21)18-10-6-7-11-19(18)26(22)13-15/h2-3,6-7,10-12,16-17H,4-5,8-9,13H2,1H3/b3-2-/t16-,17+,25?,26?/m0/s1
InChIKey DHNZJRZLAVTWBJ-WAAJVUOTSA-N
Molecular Weight 394.500 g/mol
SMILES c12[S@@](C=C(C[S@](c2cccc1)=O)O[C@]1([C@@](OC(=O)C)(CC\C=C/CC1)[H])[H])=O
SPLASH splash10-0a4i-0900000000-d054f065c13cb9eba1ac
Source of Spectrum J-65-3291-8
Synonyms (1S,8R)-8-[(1,5-dioxido-2H-1,5-benzodithiepin-3-yl)oxy]-4-cycloocten-1-yl acetate Acetic acid[(1S,4Z,8R)-8-[[(1R,5R)-1,5-diketo-2H-1,5-benzodithiepin-3-yl]oxy]cyclooct-4-en-1-yl]ester Acetic acid[(1S,4Z,8R)-8-[[(1R,5R)-1,5-dioxo-2H-1,5-benzodithiepin-3-yl]oxy]-1-cyclooct-4-enyl]ester [(1S,4Z,8R)-8-[[(1R,5R)-1,5-bis(oxidanylidene)-2H-1,5-benzodithiepin-3-yl]oxy]cyclooct-4-en-1-yl]ethanoate [(1S,4Z,8R)-8-[[(1R,5R)-1,5-dioxo-2H-1,5-benzodithiepin-3-yl]oxy]cyclooct-4-en-1-yl]acetate Acetic acid [(1S,4Z,8R)-8-[[(1R,5R)-1,5-dioxo-2H-1$l^{4},5$l^{4}-benzodithiepin-3-yl]oxy]-1-cyclooct-4-enyl] ester [(1S,4Z,8R)-8-[[(1R,5R)-1,5-dioxo-2H-1$l^{4},5$l^{4}-benzodithiepin-3-yl]oxy]cyclooct-4-en-1-yl] acetate [(1S,4Z,8R)-8-[[(1R,5R)-1,5-bis(oxidanylidene)-2H-1$l^{4},5$l^{4}-benzodithiepin-3-yl]oxy]cyclooct-4-en-1-yl] ethanoate
Wiley ID 1532243