(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13F2NO6S MolecularWeight: 397.350026

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SC(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F2NO6S/c18-17(19)27-14-4-2-1-3-13(14)16(21)25-8-11-6-12(20(22)23)5-10-7-24-9-26-15(10)11/h1-6,17H,7-9H2