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2-(hydroxymethyl)-6-(3-nitro-5-phenylsulfanyl-anilino)tetrahydropyran-3,4,5-triol
SpectraBase Compound ID ACzPQrp1IEp
InChI InChI=1S/C18H20N2O7S/c21-9-14-15(22)16(23)17(24)18(27-14)19-10-6-11(20(25)26)8-13(7-10)28-12-4-2-1-3-5-12/h1-8,14-19,21-24H,9H2/t14-,15-,16+,17+,18-/m0/s1
InChIKey LWUWLBFOJMOOIA-AVEIZBFRSA-N
Mol Weight 408.43 g/mol
Molecular Formula C18H20N2O7S
Exact Mass 408.099122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFVcxs8lH5r
Name 2-(hydroxymethyl)-6-(3-nitro-5-phenylsulfanyl-anilino)tetrahydropyran-3,4,5-triol
Alternate Name(s) 2-(hydroxymethyl)-6-(3-nitro-5-phenylsulfanylanilino)oxane-3,4,5-triol 2-(hydroxymethyl)-6-[(3-nitro-5-phenylsulfanyl-phenyl)amino]oxane-3,4,5-triol 2-(hydroxymethyl)-6-[3-nitro-5-(phenylthio)anilino]oxane-3,4,5-triol 2-Methylol-6-[3-nitro-5-(phenylthio)anilino]tetrahydropyran-3,4,5-triol N-[3-nitro-5-(phenylsulfanyl)phenyl]hexopyranosylamine
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Formula C18H20N2O7S
InChI InChI=1S/C18H20N2O7S/c21-9-14-15(22)16(23)17(24)18(27-14)19-10-6-11(20(25)26)8-13(7-10)28-12-4-2-1-3-5-12/h1-8,14-19,21-24H,9H2/t14-,15-,16+,17+,18-/m0/s1
InChIKey LWUWLBFOJMOOIA-AVEIZBFRSA-N
Molecular Weight 408.425 g/mol
SMILES O[C@]1([C@]([C@](O[C@]([C@@]1(O)[H])(CO)[H])(Nc1cc(N(=O)=O)cc(c1)Sc1ccccc1)[H])(O)[H])[H]
SPLASH splash10-08fu-9320000000-60a2a5721d4e424719d2
Wiley ID 1463532