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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)F)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)F)F)C(=O)O)[N+](=O)[O-]

InChI

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