3-(4-tert-butyl-2,6-dinitro-phenoxy)propanal

Systemtic Name: 3-(4-tert-butyl-2,6-dinitro-phenoxy)propanal Openeye Name: 3-(4-tert-butyl-2,6-dinitro-phenoxy)propanal CAS Name: 3-(4-tert-butyl-2,6-dinitrophenoxy)propanal IUPAC Name: 3-(4-tert-butyl-2,6-dinitrophenoxy)propanal Traditional Name: 3-(4-tert-butyl-2,6-dinitro-phenoxy)propionaldehyde Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-13(2,3)9-7-10(14(17)18)12(21-6-4-5-16)11(8-9)15(19)20/h5,7-8H,4,6H2,1-3H3