(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,6-tris(chloranyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,6-tris(chloranyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H10Cl3NO6 MolecularWeight: 418.6127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10Cl3NO6/c17-11-1-2-12(18)14(19)13(11)16(21)25-6-9-4-10(20(22)23)3-8-5-24-7-26-15(8)9/h1-4H,5-7H2