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

Systemtic Name: 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-3-oxidanyl-benzoate Openeye Name: 3-hydroxy-4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 3-hydroxy-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 3-hydroxy-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 3-hydroxy-4-[(E)-4-[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=CC=CC=C2C=CC#CC3=C(C=C(C=C3)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C24H18O3/c1-17-10-12-19(13-11-17)22-9-5-4-7-18(22)6-2-3-8-20-14-15-21(24(26)27)16-23(20)25/h2,4-7,9-16,25H,1H3,(H,26,27)/p-1/b6-2+