octadecyl 2-methylbenzoate

Systemtic Name: octadecyl 2-methylbenzoate Openeye Name: octadecyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid octadecyl ester IUPAC Name: octadecyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid stearyl ester Formula: C26H44O2 MolecularWeight: 388.62636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C

InChI

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