1-[4-(4-methylphenyl)sulfonyl-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-3-nitro-phenyl]ethanone Openeye Name: 1-[3-nitro-4-(p-tolylsulfonyl)phenyl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]ethanone Traditional Name: 1-(3-nitro-4-tosyl-phenyl)ethanone Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-10-3-6-13(7-4-10)22(20,21)15-8-5-12(11(2)17)9-14(15)16(18)19/h3-9H,1-2H3