(2-ethyl-5-methyl-4-oxidanylidene-furan-3-yl) (E)-octadec-9-enoate

Systemtic Name: (2-ethyl-5-methyl-4-oxidanylidene-furan-3-yl) (E)-octadec-9-enoate Openeye Name: (2-ethyl-5-methyl-4-oxo-3-furyl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-ethyl-5-methyl-4-oxo-3-furanyl) ester IUPAC Name: (2-ethyl-5-methyl-4-oxofuran-3-yl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (2-ethyl-4-keto-5-methyl-3-furyl) ester Formula: C25H42O4 MolecularWeight: 406.59858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=C(OC(C1=O)C)CC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=C(OC(C1=O)C)CC

InChI

InChI=1S/C25H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)29-25-22(5-2)28-21(3)24(25)27/h12-13,21H,4-11,14-20H2,1-3H3/b13-12+