1-[4-nitro-3-(phenylsulfonylmethyl)phenyl]ethanone

Systemtic Name: 1-[4-nitro-3-(phenylsulfonylmethyl)phenyl]ethanone Openeye Name: 1-[3-(benzenesulfonylmethyl)-4-nitro-phenyl]ethanone CAS Name: 1-[3-(benzenesulfonylmethyl)-4-nitrophenyl]ethanone IUPAC Name: 1-[3-(benzenesulfonylmethyl)-4-nitrophenyl]ethanone Traditional Name: 1-[3-(besylmethyl)-4-nitro-phenyl]ethanone Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO5S/c1-11(17)12-7-8-15(16(18)19)13(9-12)10-22(20,21)14-5-3-2-4-6-14/h2-9H,10H2,1H3