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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13F2NO8S MolecularWeight: 429.348826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2NO8S/c18-17(19)29(24,25)14-3-1-10(2-4-14)16(21)27-8-12-6-13(20(22)23)5-11-7-26-9-28-15(11)12/h1-6,17H,7-9H2