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

Systemtic Name: 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoic acid CAS Name: 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoic acid IUPAC Name: 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoic acid Traditional Name: 4-[4-[2-(4-amoxyphenyl)ethynyl]phenyl]benzoic acid Formula: C26H24O3 MolecularWeight: 384.46696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H24O3/c1-2-3-4-19-29-25-17-9-21(10-18-25)6-5-20-7-11-22(12-8-20)23-13-15-24(16-14-23)26(27)28/h7-18H,2-4,19H2,1H3,(H,27,28)