2-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoate

Systemtic Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-(p-tolyl)phenyl]but-1-en-3-ynyl]benzoate CAS Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoate IUPAC Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-(p-tolyl)phenyl]but-1-en-3-ynyl]benzoate Formula: C24H17O2- MolecularWeight: 337.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C#CC=CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C#C/C=C/C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C24H18O2/c1-18-14-16-21(17-15-18)22-12-6-4-9-19(22)8-2-3-10-20-11-5-7-13-23(20)24(25)26/h3-7,9-17H,1H3,(H,25,26)/p-1/b10-3+