(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H11F6NO6 MolecularWeight: 451.273459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F6NO6/c19-17(20,21)12-1-9(2-13(5-12)18(22,23)24)16(26)30-7-11-4-14(25(27)28)3-10-6-29-8-31-15(10)11/h1-5H,6-8H2