hexadecyl 4-bromanylbenzoate

Systemtic Name: hexadecyl 4-bromanylbenzoate Openeye Name: hexadecyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid cetyl ester Formula: C23H37BrO2 MolecularWeight: 425.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C23H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-23(25)21-16-18-22(24)19-17-21/h16-19H,2-15,20H2,1H3