O3-[2-(2-fluorophenyl)sulfanylethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(2-fluorophenyl)sulfanylethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-fluorophenyl)sulfanylethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2-fluorophenyl)thio]ethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(2-fluorophenyl)sulfanylethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2-fluorophenyl)thio]ethyl] ester O1-methyl ester Formula: C17H14FNO6S MolecularWeight: 379.359563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FNO6S/c1-24-16(20)11-8-12(10-13(9-11)19(22)23)17(21)25-6-7-26-15-5-3-2-4-14(15)18/h2-5,8-10H,6-7H2,1H3