4-iodanylbutyl 3,4-dinitrobenzoate

Systemtic Name: 4-iodanylbutyl 3,4-dinitrobenzoate Openeye Name: 4-iodobutyl 3,4-dinitrobenzoate CAS Name: 3,4-dinitrobenzoic acid 4-iodobutyl ester IUPAC Name: 4-iodobutyl 3,4-dinitrobenzoate Traditional Name: 3,4-dinitrobenzoic acid 4-iodobutyl ester Formula: C11H11IN2O6 MolecularWeight: 394.11931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCCCI)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCCCI)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11IN2O6/c12-5-1-2-6-20-11(15)8-3-4-9(13(16)17)10(7-8)14(18)19/h3-4,7H,1-2,5-6H2