diethyl 2-pent-4-yn-2-ylpropanedioate

Systemtic Name: diethyl 2-pent-4-yn-2-ylpropanedioate Openeye Name: diethyl 2-(1-methylbut-3-ynyl)propanedioate CAS Name: 2-pent-4-yn-2-ylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-pent-4-yn-2-ylpropanedioate Traditional Name: 2-(1-methylbut-3-ynyl)malonic acid diethyl ester Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h1,9-10H,6-8H2,2-4H3