dimethyl 2-[(E)-5-phenylpent-2-en-4-ynyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-5-phenylpent-2-en-4-ynyl]propanedioate Openeye Name: dimethyl 2-[(E)-5-phenylpent-2-en-4-ynyl]propanedioate CAS Name: 2-[(E)-5-phenylpent-2-en-4-ynyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-5-phenylpent-2-en-4-ynyl]propanedioate Traditional Name: 2-[(E)-5-phenylpent-2-en-4-ynyl]malonic acid dimethyl ester Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CC#CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/C#CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H16O4/c1-19-15(17)14(16(18)20-2)12-8-4-7-11-13-9-5-3-6-10-13/h3-6,8-10,14H,12H2,1-2H3/b8-4+