methyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzoate Openeye Name: methyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitro-benzoate CAS Name: 4-[(2-fluorophenyl)methylthio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2-fluorophenyl)methylsulfanyl]-3-nitrobenzoate Traditional Name: 4-[(2-fluorobenzyl)thio]-3-nitro-benzoic acid methyl ester Formula: C15H12FNO4S MolecularWeight: 321.323483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C15H12FNO4S/c1-21-15(18)10-6-7-14(13(8-10)17(19)20)22-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3