(3-ethanoylphenyl) 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: (3-ethanoylphenyl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: (3-acetylphenyl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid (3-acetylphenyl) ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S/c1-10-14(16(18)19)7-4-8-15(10)23(20,21)22-13-6-3-5-12(9-13)11(2)17/h3-9H,1-2H3