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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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