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

Systemtic Name: 2-heptan-2-yl-4,6-dinitro-phenol Openeye Name: 2-(1-methylhexyl)-4,6-dinitro-phenol CAS Name: 2-heptan-2-yl-4,6-dinitrophenol IUPAC Name: 2-heptan-2-yl-4,6-dinitrophenol Traditional Name: 2-(1-methylhexyl)-4,6-dinitro-phenol Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3