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

Systemtic Name: 4-[(E)-4-(2-phenylphenyl)but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-(2-phenylphenyl)but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-(2-phenylphenyl)but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-(2-phenylphenyl)but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-(2-phenylphenyl)but-3-en-1-ynyl]benzoic acid Formula: C23H16O2 MolecularWeight: 324.37194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H16O2/c24-23(25)21-16-14-18(15-17-21)8-4-5-11-20-12-6-7-13-22(20)19-9-2-1-3-10-19/h1-3,5-7,9-17H,(H,24,25)/b11-5+