phenacyl 12-oxidanyloctadecanoate

Systemtic Name: phenacyl 12-oxidanyloctadecanoate Openeye Name: phenacyl 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid phenacyl ester IUPAC Name: phenacyl 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid phenacyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C26H42O4/c1-2-3-4-14-19-24(27)20-15-9-7-5-6-8-10-16-21-26(29)30-22-25(28)23-17-12-11-13-18-23/h11-13,17-18,24,27H,2-10,14-16,19-22H2,1H3