hexadecyl [(Z)-4-oxidanylidene-4-phenyl-but-2-en-2-yl] carbonate

Systemtic Name: hexadecyl [(Z)-4-oxidanylidene-4-phenyl-but-2-en-2-yl] carbonate Openeye Name: hexadecyl [(Z)-1-methyl-3-oxo-3-phenyl-prop-1-enyl] carbonate CAS Name: carbonic acid hexadecyl [(Z)-4-oxo-4-phenylbut-2-en-2-yl] ester IUPAC Name: hexadecyl [(Z)-4-oxo-4-phenylbut-2-en-2-yl] carbonate Traditional Name: carbonic acid cetyl [(Z)-3-keto-1-methyl-3-phenyl-prop-1-enyl] ester Formula: C27H42O4 MolecularWeight: 430.61998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)O/C(=C\C(=O)C1=CC=CC=C1)/C

InChI

InChI=1S/C27H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30-27(29)31-24(2)23-26(28)25-20-17-16-18-21-25/h16-18,20-21,23H,3-15,19,22H2,1-2H3/b24-23-