[(2E,4E)-2-nitro-5-phenyl-penta-2,4-dienyl] octadecanoate

Systemtic Name: [(2E,4E)-2-nitro-5-phenyl-penta-2,4-dienyl] octadecanoate Openeye Name: [(2E,4E)-2-nitro-5-phenyl-penta-2,4-dienyl] octadecanoate CAS Name: octadecanoic acid [(2E,4E)-2-nitro-5-phenylpenta-2,4-dienyl] ester IUPAC Name: [(2E,4E)-2-nitro-5-phenylpenta-2,4-dienyl] octadecanoate Traditional Name: stearic acid [(2E,4E)-2-nitro-5-phenyl-penta-2,4-dienyl] ester Formula: C29H45NO4 MolecularWeight: 471.6719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(=CC=CC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-29(31)34-26-28(30(32)33)24-20-23-27-21-17-16-18-22-27/h16-18,20-24H,2-15,19,25-26H2,1H3/b23-20+,28-24+