(4-ethanoylphenyl) 2-(2-chloranyl-6-nitro-phenyl)sulfanylbenzoate

Systemtic Name: (4-ethanoylphenyl) 2-(2-chloranyl-6-nitro-phenyl)sulfanylbenzoate Openeye Name: (4-acetylphenyl) 2-(2-chloro-6-nitro-phenyl)sulfanylbenzoate CAS Name: 2-[(2-chloro-6-nitrophenyl)thio]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(2-chloro-6-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2-chloro-6-nitro-phenyl)thio]benzoic acid (4-acetylphenyl) ester Formula: C21H14ClNO5S MolecularWeight: 427.85756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2SC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClNO5S/c1-13(24)14-9-11-15(12-10-14)28-21(25)16-5-2-3-8-19(16)29-20-17(22)6-4-7-18(20)23(26)27/h2-12H,1H3