(2-hexan-3-yl-4,6-dinitro-phenyl) (E)-but-2-enoate

Systemtic Name: (2-hexan-3-yl-4,6-dinitro-phenyl) (E)-but-2-enoate Openeye Name: [2-(1-ethylbutyl)-4,6-dinitro-phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (2-hexan-3-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-hexan-3-yl-4,6-dinitrophenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(1-ethylbutyl)-4,6-dinitro-phenyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6/c1-4-7-11(6-3)13-9-12(17(20)21)10-14(18(22)23)16(13)24-15(19)8-5-2/h5,8-11H,4,6-7H2,1-3H3/b8-5+