[2-nitro-5-(phenylsulfonyl)phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-nitro-5-(phenylsulfonyl)phenyl] 4-chloranylbenzenesulfonate Openeye Name: [5-(benzenesulfonyl)-2-nitro-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [5-(benzenesulfonyl)-2-nitrophenyl] ester IUPAC Name: [5-(benzenesulfonyl)-2-nitrophenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (5-besyl-2-nitro-phenyl) ester Formula: C18H12ClNO7S2 MolecularWeight: 453.87338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClNO7S2/c19-13-6-8-15(9-7-13)29(25,26)27-18-12-16(10-11-17(18)20(21)22)28(23,24)14-4-2-1-3-5-14/h1-12H