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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClNO5S/c22-16-10-6-11-17(23(26)27)20(16)29-19-12-5-4-9-15(19)21(25)28-13-18(24)14-7-2-1-3-8-14/h1-12H,13H2