tetradecan-3-yl 3-bromanylbenzoate

Systemtic Name: tetradecan-3-yl 3-bromanylbenzoate Openeye Name: 1-ethyldodecyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid tetradecan-3-yl ester IUPAC Name: tetradecan-3-yl 3-bromobenzoate Traditional Name: 3-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(=CC=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H33BrO2/c1-3-5-6-7-8-9-10-11-12-16-20(4-2)24-21(23)18-14-13-15-19(22)17-18/h13-15,17,20H,3-12,16H2,1-2H3