3-oxidanylidene-7-(3-pentyloxiran-2-yl)hept-6-ynoic acid

Systemtic Name: 3-oxidanylidene-7-(3-pentyloxiran-2-yl)hept-6-ynoic acid Openeye Name: 3-oxo-7-(3-pentyloxiran-2-yl)hept-6-ynoic acid CAS Name: 3-oxo-7-(3-pentyl-2-oxiranyl)-6-heptynoic acid IUPAC Name: 3-oxo-7-(3-pentyloxiran-2-yl)hept-6-ynoic acid Traditional Name: 7-(3-amyloxiran-2-yl)-3-keto-hept-6-ynoic acid Formula: C14H20O4 MolecularWeight: 252.3062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(O1)C#CCCC(=O)CC(=O)O

Isomeric SMILES

CCCCCC1C(O1)C#CCCC(=O)CC(=O)O

InChI

InChI=1S/C14H20O4/c1-2-3-4-8-12-13(18-12)9-6-5-7-11(15)10-14(16)17/h12-13H,2-5,7-8,10H2,1H3,(H,16,17)