(E)-4-(2-ethynylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(2-ethynylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-ethynylphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2-ethynylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-ethynylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2-ethynylphenyl)-4-keto-but-2-enoic acid Formula: C12H8O3 MolecularWeight: 200.19012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8O3/c1-2-9-5-3-4-6-10(9)11(13)7-8-12(14)15/h1,3-8H,(H,14,15)/b8-7+