4-[2-(3-ethanoyl-4-methoxy-phenyl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(3-ethanoyl-4-methoxy-phenyl)ethynyl]benzoic acid Openeye Name: 4-[2-(3-acetyl-4-methoxy-phenyl)ethynyl]benzoic acid CAS Name: 4-[2-(3-acetyl-4-methoxyphenyl)ethynyl]benzoic acid IUPAC Name: 4-[2-(3-acetyl-4-methoxyphenyl)ethynyl]benzoic acid Traditional Name: 4-[2-(3-acetyl-4-methoxy-phenyl)ethynyl]benzoic acid Formula: C18H14O4 MolecularWeight: 294.30136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C18H14O4/c1-12(19)16-11-14(7-10-17(16)22-2)4-3-13-5-8-15(9-6-13)18(20)21/h5-11H,1-2H3,(H,20,21)