3-(4-fluoranyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-fluoranyl-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 3-(4-fluoro-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(4-fluoro-2-nitrophenyl)thio]propanoic acid IUPAC Name: 3-(4-fluoro-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-fluoro-2-nitro-phenyl)thio]propionic acid Formula: C9H8FNO4S MolecularWeight: 245.227523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C9H8FNO4S/c10-6-1-2-8(7(5-6)11(14)15)16-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)