4-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-3-nitro-benzoate

Systemtic Name: 4-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-3-nitro-benzoate Openeye Name: 4-[(2,5-difluorophenyl)methylsulfanyl]-3-nitro-benzoate CAS Name: 4-[(2,5-difluorophenyl)methylthio]-3-nitrobenzoate IUPAC Name: 4-[(2,5-difluorophenyl)methylsulfanyl]-3-nitrobenzoate Traditional Name: 4-[(2,5-difluorobenzyl)thio]-3-nitro-benzoate Formula: C14H8F2NO4S- MolecularWeight: 324.279426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SCC2=C(C=CC(=C2)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SCC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C14H9F2NO4S/c15-10-2-3-11(16)9(5-10)7-22-13-4-1-8(14(18)19)6-12(13)17(20)21/h1-6H,7H2,(H,18,19)/p-1