4-(3-chloranyl-2-fluoranyl-4-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 4-(3-chloranyl-2-fluoranyl-4-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(3-chloro-2-fluoro-4-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(3-chloro-2-fluoro-4-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(3-chloro-2-fluoro-4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(3-chloro-2-fluoro-4-nitro-phenyl)thio]benzoic acid Formula: C13H7ClFNO4S MolecularWeight: 327.715383

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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-])Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C13H7ClFNO4S/c14-11-9(16(19)20)5-6-10(12(11)15)21-8-3-1-7(2-4-8)13(17)18/h1-6H,(H,17,18)