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

Systemtic Name: 2-methyl-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-methyl-4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-methyl-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-methyl-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-methyl-4-[(E)-4-[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=CC=CC=C2C=CC#CC3=CC(=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC(=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C25H20O2/c1-18-11-14-22(15-12-18)24-10-6-5-9-21(24)8-4-3-7-20-13-16-23(25(26)27)19(2)17-20/h4-6,8-17H,1-2H3,(H,26,27)/p-1/b8-4+