4-[2-(4-pentoxyphenyl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4-pentoxyphenyl)ethynyl]benzoic acid Openeye Name: 4-[2-(4-pentoxyphenyl)ethynyl]benzoic acid CAS Name: 4-[2-(4-pentoxyphenyl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4-pentoxyphenyl)ethynyl]benzoic acid Traditional Name: 4-[2-(4-amoxyphenyl)ethynyl]benzoic acid Formula: C20H20O3 MolecularWeight: 308.371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H20O3/c1-2-3-4-15-23-19-13-9-17(10-14-19)6-5-16-7-11-18(12-8-16)20(21)22/h7-14H,2-4,15H2,1H3,(H,21,22)