(3-methylphenyl)methyl octadecanoate

Systemtic Name: (3-methylphenyl)methyl octadecanoate Openeye Name: m-tolylmethyl octadecanoate CAS Name: octadecanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl octadecanoate Traditional Name: stearic acid (3-methylbenzyl) ester Formula: C26H44O2 MolecularWeight: 388.62636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-25-20-18-19-24(2)22-25/h18-20,22H,3-17,21,23H2,1-2H3