(2-butan-2-yl-4,6-dinitro-phenyl) hexanoate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) hexanoate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) hexanoate CAS Name: hexanoic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) hexanoate Traditional Name: hexanoic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=C(C=C1C(C)CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)OC1=C(C=C(C=C1C(C)CC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6/c1-4-6-7-8-15(19)24-16-13(11(3)5-2)9-12(17(20)21)10-14(16)18(22)23/h9-11H,4-8H2,1-3H3