2-[(E)-4-[2-(4-methylphenyl)-6-oxidanyl-phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-[2-(4-methylphenyl)-6-oxidanyl-phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-hydroxy-6-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-hydroxy-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[2-hydroxy-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-hydroxy-6-(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(=CC=C2)O)C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H18O3/c1-17-13-15-19(16-14-17)20-11-6-12-23(25)22(20)10-5-3-8-18-7-2-4-9-21(18)24(26)27/h2,4-7,9-16,25H,1H3,(H,26,27)/p-1/b10-5+