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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1F)SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)F

InChI

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