propyl 2-(bromomethyl)-3-octadecyl-benzoate

Systemtic Name: propyl 2-(bromomethyl)-3-octadecyl-benzoate Openeye Name: propyl 2-(bromomethyl)-3-octadecyl-benzoate CAS Name: 2-(bromomethyl)-3-octadecylbenzoic acid propyl ester IUPAC Name: propyl 2-(bromomethyl)-3-octadecylbenzoate Traditional Name: 2-(bromomethyl)-3-stearyl-benzoic acid propyl ester Formula: C29H49BrO2 MolecularWeight: 509.60216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1CBr)C(=O)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1CBr)C(=O)OCCC

InChI

InChI=1S/C29H49BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23-27(28(26)25-30)29(31)32-24-4-2/h20,22-23H,3-19,21,24-25H2,1-2H3