2,6-dinitro-4-pentan-2-yl-phenol

Systemtic Name: 2,6-dinitro-4-pentan-2-yl-phenol Openeye Name: 4-(1-methylbutyl)-2,6-dinitro-phenol CAS Name: 2,6-dinitro-4-pentan-2-ylphenol IUPAC Name: 2,6-dinitro-4-pentan-2-ylphenol Traditional Name: 4-(1-methylbutyl)-2,6-dinitro-phenol Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5/c1-3-4-7(2)8-5-9(12(15)16)11(14)10(6-8)13(17)18/h5-7,14H,3-4H2,1-2H3