dimethyl 2-but-2-ynyl-2-[(E)-4-oxidanylidenebut-2-enyl]propanedioate

Systemtic Name: dimethyl 2-but-2-ynyl-2-[(E)-4-oxidanylidenebut-2-enyl]propanedioate Openeye Name: dimethyl 2-but-2-ynyl-2-[(E)-4-oxobut-2-enyl]propanedioate CAS Name: 2-but-2-ynyl-2-[(E)-4-oxobut-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-but-2-ynyl-2-[(E)-4-oxobut-2-enyl]propanedioate Traditional Name: 2-but-2-ynyl-2-[(E)-4-ketobut-2-enyl]malonic acid dimethyl ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC=CC=O)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC#CCC(C/C=C/C=O)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H16O5/c1-4-5-8-13(11(15)17-2,12(16)18-3)9-6-7-10-14/h6-7,10H,8-9H2,1-3H3/b7-6+