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

Systemtic Name: 2,6-dinitro-4-octan-2-yl-phenol Openeye Name: 4-(1-methylheptyl)-2,6-dinitro-phenol CAS Name: 2,6-dinitro-4-octan-2-ylphenol IUPAC Name: 2,6-dinitro-4-octan-2-ylphenol Traditional Name: 4-(1-methylheptyl)-2,6-dinitro-phenol Formula: C14H20N2O5 MolecularWeight: 296.319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-3-4-5-6-7-10(2)11-8-12(15(18)19)14(17)13(9-11)16(20)21/h8-10,17H,3-7H2,1-2H3