methyl 2-(2-fluoranyl-3-nitro-6-phenylsulfanyl-phenyl)ethanoate

Systemtic Name: methyl 2-(2-fluoranyl-3-nitro-6-phenylsulfanyl-phenyl)ethanoate Openeye Name: methyl 2-(2-fluoro-3-nitro-6-phenylsulfanyl-phenyl)acetate CAS Name: 2-[2-fluoro-3-nitro-6-(phenylthio)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-fluoro-3-nitro-6-phenylsulfanylphenyl)acetate Traditional Name: 2-[2-fluoro-3-nitro-6-(phenylthio)phenyl]acetic acid methyl ester Formula: C15H12FNO4S MolecularWeight: 321.323483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=CC(=C1F)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=C(C=CC(=C1F)[N+](=O)[O-])SC2=CC=CC=C2

InChI

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