2-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid

Systemtic Name: 2-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 2-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 2-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 2-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 2-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C26H22O2 MolecularWeight: 366.45168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H22O2/c1-2-9-20-16-18-23(19-17-20)24-14-7-5-11-21(24)10-3-4-12-22-13-6-8-15-25(22)26(27)28/h3,5-8,10-11,13-19H,2,9H2,1H3,(H,27,28)/b10-3+