2-[(E)-4-[5-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-[5-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[5-methyl-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[5-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[5-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[5-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=C(C=C2)C)C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H20O2/c1-18-11-14-21(15-12-18)23-16-13-19(2)17-22(23)9-4-3-7-20-8-5-6-10-24(20)25(26)27/h4-6,8-17H,1-2H3,(H,26,27)/p-1/b9-4+