methyl (2E)-2-[(3-ethynylphenyl)methylidene]-4,4-dimethoxy-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(3-ethynylphenyl)methylidene]-4,4-dimethoxy-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(3-ethynylphenyl)methylene]-4,4-dimethoxy-3-oxo-butanoate CAS Name: (2E)-2-[(3-ethynylphenyl)methylidene]-4,4-dimethoxy-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(3-ethynylphenyl)methylidene]-4,4-dimethoxy-3-oxobutanoate Traditional Name: (E)-2-(2,2-dimethoxyacetyl)-3-(3-ethynylphenyl)acrylic acid methyl ester Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O5/c1-5-11-7-6-8-12(9-11)10-13(15(18)19-2)14(17)16(20-3)21-4/h1,6-10,16H,2-4H3/b13-10+