4-[4-(4-carboxy-3-ethyl-phenyl)buta-1,3-diynyl]-2-ethyl-benzoic acid

Systemtic Name: 4-[4-(4-carboxy-3-ethyl-phenyl)buta-1,3-diynyl]-2-ethyl-benzoic acid Openeye Name: 4-[4-(4-carboxy-3-ethyl-phenyl)buta-1,3-diynyl]-2-ethyl-benzoic acid CAS Name: 4-[4-(4-carboxy-3-ethylphenyl)buta-1,3-diynyl]-2-ethylbenzoic acid IUPAC Name: 4-[4-(4-carboxy-3-ethylphenyl)buta-1,3-diynyl]-2-ethylbenzoic acid Traditional Name: 4-[4-(4-carboxy-3-ethyl-phenyl)buta-1,3-diynyl]-2-ethyl-benzoic acid Formula: C22H18O4 MolecularWeight: 346.37592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#CC#CC2=CC(=C(C=C2)C(=O)O)CC)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC#CC2=CC(=C(C=C2)C(=O)O)CC)C(=O)O

InChI

InChI=1S/C22H18O4/c1-3-17-13-15(9-11-19(17)21(23)24)7-5-6-8-16-10-12-20(22(25)26)18(4-2)14-16/h9-14H,3-4H2,1-2H3,(H,23,24)(H,25,26)