(3,4,5-trimethylphenyl)methyl octadecanoate

Systemtic Name: (3,4,5-trimethylphenyl)methyl octadecanoate Openeye Name: (3,4,5-trimethylphenyl)methyl octadecanoate CAS Name: octadecanoic acid (3,4,5-trimethylphenyl)methyl ester IUPAC Name: (3,4,5-trimethylphenyl)methyl octadecanoate Traditional Name: stearic acid (3,4,5-trimethylbenzyl) ester Formula: C28H48O2 MolecularWeight: 416.67952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1)C)C)C

InChI

InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-23-27-21-24(2)26(4)25(3)22-27/h21-22H,5-20,23H2,1-4H3