4-[2,5-bis(fluoranyl)phenyl]sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(2,5-difluorophenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(2,5-difluorophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(2,5-difluorophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(2,5-difluorophenyl)thio]-3-nitro-benzoic acid Formula: C13H7F2NO4S MolecularWeight: 311.260786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7F2NO4S/c14-8-2-3-9(15)12(6-8)21-11-4-1-7(13(17)18)5-10(11)16(19)20/h1-6H,(H,17,18)