3,7-dimethylocta-1,6-dien-3-yl (E)-octadec-9-enoate

Systemtic Name: 3,7-dimethylocta-1,6-dien-3-yl (E)-octadec-9-enoate Openeye Name: (1,5-dimethyl-1-vinyl-hex-4-enyl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 3,7-dimethylocta-1,6-dien-3-yl ester IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (1,5-dimethyl-1-vinyl-hex-4-enyl) ester Formula: C28H50O2 MolecularWeight: 418.6954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C

InChI

InChI=1S/C28H50O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(29)30-28(5,7-2)25-22-23-26(3)4/h7,14-15,23H,2,6,8-13,16-22,24-25H2,1,3-5H3/b15-14+