2-(2-fluorophenyl)sulfanylethyl 4-methoxy-3-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4-methoxy-3-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C16H14FNO5S MolecularWeight: 351.349463

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14FNO5S/c1-22-14-7-6-11(10-13(14)18(20)21)16(19)23-8-9-24-15-5-3-2-4-12(15)17/h2-7,10H,8-9H2,1H3