hexadecyl 6-bromanylhexanoate

Systemtic Name: hexadecyl 6-bromanylhexanoate Openeye Name: hexadecyl 6-bromohexanoate CAS Name: 6-bromohexanoic acid hexadecyl ester IUPAC Name: hexadecyl 6-bromohexanoate Traditional Name: 6-bromohexanoic acid cetyl ester Formula: C22H43BrO2 MolecularWeight: 419.47962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCBr

InChI

InChI=1S/C22H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-22(24)19-16-15-17-20-23/h2-21H2,1H3