octadecyl 4-methylbenzoate

Systemtic Name: octadecyl 4-methylbenzoate Openeye Name: octadecyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid octadecyl ester IUPAC Name: octadecyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid stearyl ester Formula: C26H44O2 MolecularWeight: 388.62636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(27)25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3