(4-methyl-2-nitro-phenyl) 3-ethanoylbenzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 3-ethanoylbenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 3-acetylbenzenesulfonate CAS Name: 3-acetylbenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 3-acetylbenzenesulfonate Traditional Name: 3-acetylbenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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