(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H11F2N3O5S MolecularWeight: 395.337446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C16H11F2N3O5S/c17-16(18)27(24,25)11-7-5-10(6-8-11)15(23)26-9-21-14(22)12-3-1-2-4-13(12)19-20-21/h1-8,16H,9H2