8-[(2S,3R)-3-[(E)-oct-2-enoyl]oxiran-2-yl]octanoic acid

Systemtic Name: 8-[(2S,3R)-3-[(E)-oct-2-enoyl]oxiran-2-yl]octanoic acid Openeye Name: 8-[(2S,3R)-3-[(E)-oct-2-enoyl]oxiran-2-yl]octanoic acid CAS Name: 8-[(2S,3R)-3-[(E)-1-oxooct-2-enyl]-2-oxiranyl]octanoic acid IUPAC Name: 8-[(2S,3R)-3-[(E)-oct-2-enoyl]oxiran-2-yl]octanoic acid Traditional Name: 8-[(2S,3R)-3-[(E)-oct-2-enoyl]oxiran-2-yl]caprylic acid Formula: C18H30O4 MolecularWeight: 310.4284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(=O)C1C(O1)CCCCCCCC(=O)O

Isomeric SMILES

CCCCC/C=C/C(=O)[C@H]1[C@@H](O1)CCCCCCCC(=O)O

InChI

InChI=1S/C18H30O4/c1-2-3-4-6-9-12-15(19)18-16(22-18)13-10-7-5-8-11-14-17(20)21/h9,12,16,18H,2-8,10-11,13-14H2,1H3,(H,20,21)/b12-9+/t16-,18-/m0/s1