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

Systemtic Name: 4-[(E)-4-[2-(4-methylphenyl)-3-oxidanyl-phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[3-hydroxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[3-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[3-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[3-hydroxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C24H18O3 MolecularWeight: 354.39792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC=C2O)C=CC#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC=C2O)/C=C/C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H18O3/c1-17-9-13-20(14-10-17)23-19(7-4-8-22(23)25)6-3-2-5-18-11-15-21(16-12-18)24(26)27/h3-4,6-16,25H,1H3,(H,26,27)/b6-3+