(2E)-2-[(3-ethynylphenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (2E)-2-[(3-ethynylphenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxobutanoate IUPAC Name: (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-ethynylphenyl)acrylate Formula: C13H9O3- MolecularWeight: 213.20876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC(=C1)C#C)C(=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC(=C1)C#C)/C(=O)[O-]

InChI

InChI=1S/C13H10O3/c1-3-10-5-4-6-11(7-10)8-12(9(2)14)13(15)16/h1,4-8H,2H3,(H,15,16)/p-1/b12-8+