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

Systemtic Name: 2-[(E)-4-[4-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 2-[(E)-4-[4-methyl-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 2-[(E)-4-[4-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 2-[(E)-4-[4-methyl-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 2-[(E)-4-[4-methyl-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C25H20O2 MolecularWeight: 352.4251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C)C=CC#CC3=CC=CC=C3C(=O)O

Isomeric SMILES

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

InChI

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