(2,4-dinitro-6-octan-4-yl-phenyl) (E)-but-2-enoate

Systemtic Name: (2,4-dinitro-6-octan-4-yl-phenyl) (E)-but-2-enoate Openeye Name: [2,4-dinitro-6-(1-propylpentyl)phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (2,4-dinitro-6-octan-4-ylphenyl) ester IUPAC Name: (2,4-dinitro-6-octan-4-ylphenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2,4-dinitro-6-(1-propylpentyl)phenyl] ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCC)C1=CC(=CC(=C1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-4-7-10-13(8-5-2)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-6-3/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+