tert-butyl (6E,9E,12E)-18-bromanyl-3-oxidanylidene-octadeca-6,9,12-trienoate

Systemtic Name: tert-butyl (6E,9E,12E)-18-bromanyl-3-oxidanylidene-octadeca-6,9,12-trienoate Openeye Name: tert-butyl (6E,9E,12E)-18-bromo-3-oxo-octadeca-6,9,12-trienoate CAS Name: (6E,9E,12E)-18-bromo-3-oxooctadeca-6,9,12-trienoic acid tert-butyl ester IUPAC Name: tert-butyl (6E,9E,12E)-18-bromo-3-oxooctadeca-6,9,12-trienoate Traditional Name: (6E,9E,12E)-18-bromo-3-keto-octadeca-6,9,12-trienoic acid tert-butyl ester Formula: C22H35BrO3 MolecularWeight: 427.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)CCC=CCC=CCC=CCCCCCBr

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)CC/C=C/C/C=C/C/C=C/CCCCCBr

InChI

InChI=1S/C22H35BrO3/c1-22(2,3)26-21(25)19-20(24)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23/h5-8,11,13H,4,9-10,12,14-19H2,1-3H3/b7-5+,8-6+,13-11+