phenacyl octadecanoate

Systemtic Name: phenacyl octadecanoate Openeye Name: phenacyl octadecanoate CAS Name: octadecanoic acid phenacyl ester IUPAC Name: phenacyl octadecanoate Traditional Name: stearic acid phenacyl ester Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)29-23-25(27)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3