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1,3,5-benzenetriol, 2-nitro-, 1,3-bis(benzenesulfonate)
SpectraBase Compound ID GuG2FcaNH2D
InChI InChI=1S/C18H13NO9S2/c20-13-11-16(27-29(23,24)14-7-3-1-4-8-14)18(19(21)22)17(12-13)28-30(25,26)15-9-5-2-6-10-15/h1-12,20H
InChIKey CZEALGHYQKTUBZ-UHFFFAOYSA-N
Mol Weight 451.42 g/mol
Molecular Formula C18H13NO9S2
Exact Mass 451.003173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBp2FGZmzIo
Name 1,3,5-benzenetriol, 2-nitro-, 1,3-bis(benzenesulfonate)
Alternate Name(s) 5-Hydroxy-2-nitro-1,3-phenylene dibenzenesulfonate 5-Hydroxy-2-nitrobenzene-1,3-diyl dibenzenesulfonate Benzenesulfonic acid [3-(benzenesulfonyloxy)-5-hydroxy-2-nitrophenyl] ester [3-(benzenesulfonyloxy)-5-hydroxy-2-nitrophenyl] benzenesulfonate [3-(benzenesulfonyloxy)-5-hydroxy-2-nitro-phenyl] benzenesulfonate [2-nitro-5-oxidanyl-3-(phenylsulfonyloxy)phenyl] benzenesulfonate
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Formula C18H13NO9S2
InChI InChI=1S/C18H13NO9S2/c20-13-11-16(27-29(23,24)14-7-3-1-4-8-14)18(19(21)22)17(12-13)28-30(25,26)15-9-5-2-6-10-15/h1-12,20H
InChIKey CZEALGHYQKTUBZ-UHFFFAOYSA-N
Molecular Weight 451.420 g/mol
SMILES Oc1cc(OS(=O)(=O)c2ccccc2)c([N+]([O-])=O)c(OS(=O)(=O)c2ccccc2)c1
SPLASH splash10-004l-9400000000-28e543b3e68df068e013
Source of Spectrum JX-2015-4-623
Wiley ID 1726047