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

Systemtic Name: 2-[(E)-4-[2-(4-methylphenyl)-5-oxidanyl-phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[5-hydroxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[5-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[5-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[5-hydroxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C24H17O3- MolecularWeight: 353.38998

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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=CC=C3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H18O3/c1-17-10-12-19(13-11-17)22-15-14-21(25)16-20(22)8-3-2-6-18-7-4-5-9-23(18)24(26)27/h3-5,7-16,25H,1H3,(H,26,27)/p-1/b8-3+