[2,4-dinitro-6-(2,4,4-trimethylpentan-2-yl)phenyl] (E)-but-2-enoate

Systemtic Name: [2,4-dinitro-6-(2,4,4-trimethylpentan-2-yl)phenyl] (E)-but-2-enoate Openeye Name: [2,4-dinitro-6-(1,1,3,3-tetramethylbutyl)phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2,4-dinitro-6-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [2,4-dinitro-6-(2,4,4-trimethylpentan-2-yl)phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2,4-dinitro-6-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C18H24N2O6 MolecularWeight: 364.39296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6/c1-7-8-15(21)26-16-13(18(5,6)11-17(2,3)4)9-12(19(22)23)10-14(16)20(24)25/h7-10H,11H2,1-6H3/b8-7+