(4-ethanoylphenyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-ethanoylphenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-acetylphenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-acetylphenyl) ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c1-10(18)11-3-6-13(7-4-11)22-16(19)12-5-8-15(23-2)14(9-12)17(20)21/h3-9H,1-2H3