tetradecan-3-yl 4-bromanylbenzoate

Systemtic Name: tetradecan-3-yl 4-bromanylbenzoate Openeye Name: 1-ethyldodecyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid tetradecan-3-yl ester IUPAC Name: tetradecan-3-yl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 1-ethyldodecyl ester Formula: C21H33BrO2 MolecularWeight: 397.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC)OC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCCCCCCCC(CC)OC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C21H33BrO2/c1-3-5-6-7-8-9-10-11-12-13-20(4-2)24-21(23)18-14-16-19(22)17-15-18/h14-17,20H,3-13H2,1-2H3