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

Systemtic Name: 2-[(E)-4-[3-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[3-methyl-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[3-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[3-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[3-methyl-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C25H19O2- MolecularWeight: 351.41716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O2/c1-18-14-16-22(17-15-18)24-19(2)8-7-12-21(24)11-4-3-9-20-10-5-6-13-23(20)25(26)27/h4-8,10-17H,1-2H3,(H,26,27)/p-1/b11-4+