5-[2-(4-butoxyphenyl)ethynyl]furan-2-carboxylic acid

Systemtic Name: 5-[2-(4-butoxyphenyl)ethynyl]furan-2-carboxylic acid Openeye Name: 5-[2-(4-butoxyphenyl)ethynyl]furan-2-carboxylic acid CAS Name: 5-[2-(4-butoxyphenyl)ethynyl]-2-furancarboxylic acid IUPAC Name: 5-[2-(4-butoxyphenyl)ethynyl]furan-2-carboxylic acid Traditional Name: 5-[2-(4-butoxyphenyl)ethynyl]-2-furoic acid Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C17H16O4/c1-2-3-12-20-14-7-4-13(5-8-14)6-9-15-10-11-16(21-15)17(18)19/h4-5,7-8,10-11H,2-3,12H2,1H3,(H,18,19)