(4-ethanoylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: (4-ethanoylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: (4-acetylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid (4-acetylphenyl) ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO5S/c1-14(23)15-6-10-17(11-7-15)27-21(24)19-4-2-3-5-20(19)28-18-12-8-16(9-13-18)22(25)26/h2-13H,1H3