1-(4-tert-butyl-2,6-dinitro-phenoxy)propan-2-ol

Systemtic Name: 1-(4-tert-butyl-2,6-dinitro-phenoxy)propan-2-ol Openeye Name: 1-(4-tert-butyl-2,6-dinitro-phenoxy)propan-2-ol CAS Name: 1-(4-tert-butyl-2,6-dinitrophenoxy)-2-propanol IUPAC Name: 1-(4-tert-butyl-2,6-dinitrophenoxy)propan-2-ol Traditional Name: 1-(4-tert-butyl-2,6-dinitro-phenoxy)propan-2-ol Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])O

Isomeric SMILES

CC(COC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])O

InChI

InChI=1S/C13H18N2O6/c1-8(16)7-21-12-10(14(17)18)5-9(13(2,3)4)6-11(12)15(19)20/h5-6,8,16H,7H2,1-4H3