methyl 2-(4-chloranyl-5-fluoranyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-chloranyl-5-fluoranyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-chloro-5-fluoro-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-chloro-5-fluoro-2-nitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-chloro-5-fluoro-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-chloro-5-fluoro-2-nitro-phenyl)thio]acetic acid methyl ester Formula: C9H7ClFNO4S MolecularWeight: 279.672583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=C(C=C1[N+](=O)[O-])Cl)F

Isomeric SMILES

COC(=O)CSC1=CC(=C(C=C1[N+](=O)[O-])Cl)F

InChI

InChI=1S/C9H7ClFNO4S/c1-16-9(13)4-17-8-3-6(11)5(10)2-7(8)12(14)15/h2-3H,4H2,1H3