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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2SC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2SC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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