4-[(E)-4-[2-(4-methylphenyl)-5-oxidanyl-phenyl]but-3-en-1-ynyl]benzoic acid

Systemtic Name: 4-[(E)-4-[2-(4-methylphenyl)-5-oxidanyl-phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[5-hydroxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[5-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[5-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[5-hydroxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C24H18O3 MolecularWeight: 354.39792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18O3/c1-17-6-10-19(11-7-17)23-15-14-22(25)16-21(23)5-3-2-4-18-8-12-20(13-9-18)24(26)27/h3,5-16,25H,1H3,(H,26,27)/b5-3+