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

Systemtic Name: 2-[(E)-4-[2-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-(m-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[2-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-(m-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(=C1)C2=CC=CC=C2C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H18O2/c1-18-9-8-14-21(17-18)22-15-6-4-11-19(22)10-2-3-12-20-13-5-7-16-23(20)24(25)26/h2,4-11,13-17H,1H3,(H,25,26)/p-1/b10-2+