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

Systemtic Name: 2-[(E)-4-[3-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[3-(m-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[3-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[3-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[3-(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=C2)C=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/c1-18-8-6-13-21(16-18)22-14-7-10-19(17-22)9-2-3-11-20-12-4-5-15-23(20)24(25)26/h2,4-10,12-17H,1H3,(H,25,26)/p-1/b9-2+