(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) hexanoate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) hexanoate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) hexanoate CAS Name: hexanoic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) hexanoate Traditional Name: hexanoic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) ester Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6/c1-6-7-8-9-14(20)25-16-12(17(3,4)5)10-13(18(21)22)11(2)15(16)19(23)24/h10H,6-9H2,1-5H3