phenacyl icosanoate

Systemtic Name: phenacyl icosanoate Openeye Name: phenacyl icosanoate CAS Name: eicosanoic acid phenacyl ester IUPAC Name: phenacyl icosanoate Traditional Name: arachidic acid phenacyl ester Formula: C28H46O3 MolecularWeight: 430.66304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C28H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(30)31-25-27(29)26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3