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

Systemtic Name: (4-ethanoylphenyl) 2-(2-nitrophenyl)sulfanylbenzoate Openeye Name: (4-acetylphenyl) 2-(2-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(2-nitrophenyl)thio]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(2-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

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