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

Systemtic Name: 4-[(E)-4-[2-(4-methylphenyl)phenyl]pent-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[2-(p-tolyl)phenyl]pent-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[2-(4-methylphenyl)phenyl]pent-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[2-(4-methylphenyl)phenyl]pent-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[2-(p-tolyl)phenyl]pent-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=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/c1-18-10-14-21(15-11-18)24-9-4-3-8-23(24)19(2)6-5-7-20-12-16-22(17-13-20)25(26)27/h3-4,6,8-17H,1-2H3,(H,26,27)/b19-6+