8-[3-[(2E,5E)-octa-2,5-dienyl]oxiren-2-yl]octanoic acid

Systemtic Name: 8-[3-[(2E,5E)-octa-2,5-dienyl]oxiren-2-yl]octanoic acid Openeye Name: 8-[3-[(2E,5E)-octa-2,5-dienyl]oxiren-2-yl]octanoic acid CAS Name: 8-[3-[(2E,5E)-octa-2,5-dienyl]-2-oxirenyl]octanoic acid IUPAC Name: 8-[3-[(2E,5E)-octa-2,5-dienyl]oxiren-2-yl]octanoic acid Traditional Name: 8-[3-[(2E,5E)-octa-2,5-dienyl]oxiren-2-yl]caprylic acid Formula: C18H28O3 MolecularWeight: 292.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC1=C(O1)CCCCCCCC(=O)O

Isomeric SMILES

CC/C=C/C/C=C/CC1=C(O1)CCCCCCCC(=O)O

InChI

InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10H,2,5-6,8-9,11-15H2,1H3,(H,19,20)/b4-3+,10-7+