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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2/C=C/C#CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C24H18O2/c1-18-10-2-7-15-21(18)22-16-8-5-12-19(22)11-3-4-13-20-14-6-9-17-23(20)24(25)26/h2-3,5-12,14-17H,1H3,(H,25,26)/p-1/b11-3+