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

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(3,4-difluorophenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(3,4-difluorophenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(3,4-difluorophenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(3,4-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=CC(=C(C=C2)F)F

Isomeric SMILES

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

InChI

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