(2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: (2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E)-octadeca-9,12-dienoate Openeye Name: (2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester Formula: C28H42O4 MolecularWeight: 442.63068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC1COC(O1)C2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC1COC(O1)C2=CC=CC=C2

InChI

InChI=1S/C28H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)30-23-26-24-31-28(32-26)25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21,26,28H,2-5,8,11-15,19,22-24H2,1H3/b7-6+,10-9+