[(E)-2-nitro-3-phenyl-prop-2-enyl] 4-methoxyoctadecanoate

Systemtic Name: [(E)-2-nitro-3-phenyl-prop-2-enyl] 4-methoxyoctadecanoate Openeye Name: [(E)-2-nitro-3-phenyl-allyl] 4-methoxyoctadecanoate CAS Name: 4-methoxyoctadecanoic acid [(E)-2-nitro-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-2-nitro-3-phenylprop-2-enyl] 4-methoxyoctadecanoate Traditional Name: 4-methoxystearic acid [(E)-2-nitro-3-phenyl-allyl] ester Formula: C28H45NO5 MolecularWeight: 475.6606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC(=O)OCC(=CC1=CC=CC=C1)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C28H45NO5/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-27(33-2)21-22-28(30)34-24-26(29(31)32)23-25-18-15-14-16-19-25/h14-16,18-19,23,27H,3-13,17,20-22,24H2,1-2H3/b26-23+