2-(2-fluorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C17H16FNO6S MolecularWeight: 381.375443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16FNO6S/c1-23-14-9-11(13(19(21)22)10-15(14)24-2)17(20)25-7-8-26-16-6-4-3-5-12(16)18/h3-6,9-10H,7-8H2,1-2H3