5-phenylpentyl 3-methylhexadecanoate

Systemtic Name: 5-phenylpentyl 3-methylhexadecanoate Openeye Name: 5-phenylpentyl 3-methylhexadecanoate CAS Name: 3-methylhexadecanoic acid 5-phenylpentyl ester IUPAC Name: 5-phenylpentyl 3-methylhexadecanoate Traditional Name: 3-methylpalmitic acid 5-phenylpentyl ester Formula: C28H48O2 MolecularWeight: 416.67952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)CC(=O)OCCCCCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCC(C)CC(=O)OCCCCCC1=CC=CC=C1

InChI

InChI=1S/C28H48O2/c1-3-4-5-6-7-8-9-10-11-12-15-20-26(2)25-28(29)30-24-19-14-18-23-27-21-16-13-17-22-27/h13,16-17,21-22,26H,3-12,14-15,18-20,23-25H2,1-2H3