hexadecyl [(E)-4-oxidanylidenepent-2-en-2-yl] carbonate

Systemtic Name: hexadecyl [(E)-4-oxidanylidenepent-2-en-2-yl] carbonate Openeye Name: hexadecyl [(E)-1-methyl-3-oxo-but-1-enyl] carbonate CAS Name: carbonic acid hexadecyl [(E)-4-oxopent-2-en-2-yl] ester IUPAC Name: hexadecyl [(E)-4-oxopent-2-en-2-yl] carbonate Traditional Name: carbonic acid cetyl [(E)-3-keto-1-methyl-but-1-enyl] ester Formula: C22H40O4 MolecularWeight: 368.5506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)OC(=CC(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)O/C(=C/C(=O)C)/C

InChI

InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-22(24)26-21(3)19-20(2)23/h19H,4-18H2,1-3H3/b21-19+