methyl 4-(3-chloranyl-4-fluoranyl-phenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate

Systemtic Name: methyl 4-(3-chloranyl-4-fluoranyl-phenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate Openeye Name: methyl 4-(3-chloro-4-fluoro-phenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate CAS Name: 4-(3-chloro-4-fluorophenyl)-2-(methylthio)-6-(3-nitrophenyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-6-(3-nitrophenyl)benzoate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-2-(methylthio)-6-(3-nitrophenyl)benzoic acid methyl ester Formula: C21H15ClFNO4S MolecularWeight: 431.864503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1SC)C2=CC(=C(C=C2)F)Cl)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1SC)C2=CC(=C(C=C2)F)Cl)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClFNO4S/c1-28-21(25)20-16(13-4-3-5-15(8-13)24(26)27)9-14(11-19(20)29-2)12-6-7-18(23)17(22)10-12/h3-11H,1-2H3