(E)-5-(2-ethynylphenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-(2-ethynylphenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(2-ethynylphenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-(2-ethynylphenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(2-ethynylphenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-5-(2-ethynylphenyl)-3-keto-pent-4-enoic acid Formula: C13H10O3 MolecularWeight: 214.2167

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1C=CC(=O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H10O3/c1-2-10-5-3-4-6-11(10)7-8-12(14)9-13(15)16/h1,3-8H,9H2,(H,15,16)/b8-7+