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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O2/c1-18-14-16-21(17-15-18)23-12-6-5-11-22(23)19(2)8-7-10-20-9-3-4-13-24(20)25(26)27/h3-6,8-9,11-17H,1-2H3,(H,26,27)/p-1/b19-8+