heptyl (E)-octadec-9-enoate

Systemtic Name: heptyl (E)-octadec-9-enoate Openeye Name: heptyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid heptyl ester IUPAC Name: heptyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid heptyl ester Formula: C25H48O2 MolecularWeight: 380.64742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCC

InChI

InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24-22-20-8-6-4-2/h13-14H,3-12,15-24H2,1-2H3/b14-13+