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

Systemtic Name: (2,6-dinitro-4-octyl-phenyl) (E)-but-2-enoate Openeye Name: (2,6-dinitro-4-octyl-phenyl) (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (2,6-dinitro-4-octylphenyl) ester IUPAC Name: (2,6-dinitro-4-octylphenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (2,6-dinitro-4-octyl-phenyl) ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)C=CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)/C=C/C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-11-14-12-15(19(22)23)18(16(13-14)20(24)25)26-17(21)10-4-2/h4,10,12-13H,3,5-9,11H2,1-2H3/b10-4+