3-[(5-fluoranyl-2-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-fluoranyl-2-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-fluoro-2-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-fluoro-2-nitrophenyl)methylthio]propanoic acid IUPAC Name: 3-[(5-fluoro-2-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-fluoro-2-nitro-benzyl)thio]propionic acid Formula: C10H10FNO4S MolecularWeight: 259.254103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10FNO4S/c11-8-1-2-9(12(15)16)7(5-8)6-17-4-3-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)