2-[(5-fluoranyl-2-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(5-fluoranyl-2-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-fluoro-2-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-fluoro-2-nitrophenyl)methylthio]propanoic acid IUPAC Name: 2-[(5-fluoro-2-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-fluoro-2-nitro-benzyl)thio]propionic acid Formula: C10H10FNO4S MolecularWeight: 259.254103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C=CC(=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SCC1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C10H10FNO4S/c1-6(10(13)14)17-5-7-4-8(11)2-3-9(7)12(15)16/h2-4,6H,5H2,1H3,(H,13,14)