[4-nitro-3-(phenylsulfonyloxy)phenyl] benzenesulfonate

Systemtic Name: [4-nitro-3-(phenylsulfonyloxy)phenyl] benzenesulfonate Openeye Name: [3-(benzenesulfonyloxy)-4-nitro-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(benzenesulfonyloxy)-4-nitrophenyl] ester IUPAC Name: [3-(benzenesulfonyloxy)-4-nitrophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid (3-besyloxy-4-nitro-phenyl) ester Formula: C18H13NO8S2 MolecularWeight: 435.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13NO8S2/c20-19(21)17-12-11-14(26-28(22,23)15-7-3-1-4-8-15)13-18(17)27-29(24,25)16-9-5-2-6-10-16/h1-13H