4-(2-fluoranyl-4-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-fluoranyl-4-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(2-fluoro-4-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(2-fluoro-4-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(2-fluoro-4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(2-fluoro-4-nitro-phenyl)thio]benzoic acid Formula: C13H8FNO4S MolecularWeight: 293.270323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C13H8FNO4S/c14-11-7-9(15(18)19)3-6-12(11)20-10-4-1-8(2-5-10)13(16)17/h1-7H,(H,16,17)