diethyl 2-(1-oxidanyl-2-oxidanylidene-hept-5-ynyl)propanedioate

Systemtic Name: diethyl 2-(1-oxidanyl-2-oxidanylidene-hept-5-ynyl)propanedioate Openeye Name: diethyl 2-(1-hydroxy-2-oxo-hept-5-ynyl)propanedioate CAS Name: 2-(1-hydroxy-2-oxohept-5-ynyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-hydroxy-2-oxohept-5-ynyl)propanedioate Traditional Name: 2-(1-hydroxy-2-keto-hept-5-ynyl)malonic acid diethyl ester Formula: C14H20O6 MolecularWeight: 284.305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)CCC#CC)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C(=O)CCC#CC)O)C(=O)OCC

InChI

InChI=1S/C14H20O6/c1-4-7-8-9-10(15)12(16)11(13(17)19-5-2)14(18)20-6-3/h11-12,16H,5-6,8-9H2,1-3H3