[5-nitro-2-oxidanyl-3-(phenylsulfonyloxy)phenyl] benzenesulfonate

Systemtic Name: [5-nitro-2-oxidanyl-3-(phenylsulfonyloxy)phenyl] benzenesulfonate Openeye Name: [3-(benzenesulfonyloxy)-2-hydroxy-5-nitro-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(benzenesulfonyloxy)-2-hydroxy-5-nitrophenyl] ester IUPAC Name: [3-(benzenesulfonyloxy)-2-hydroxy-5-nitrophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid (3-besyloxy-2-hydroxy-5-nitro-phenyl) ester Formula: C18H13NO9S2 MolecularWeight: 451.42712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2O)OS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2O)OS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO9S2/c20-18-16(27-29(23,24)14-7-3-1-4-8-14)11-13(19(21)22)12-17(18)28-30(25,26)15-9-5-2-6-10-15/h1-12,20H