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

Systemtic Name: methyl 4-[(E)-4-[2-(4-methylphenyl)-6-oxidanyl-phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-hydroxy-6-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-hydroxy-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-hydroxy-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-hydroxy-6-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C25H20O3 MolecularWeight: 368.4245

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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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20O3/c1-18-10-14-20(15-11-18)22-8-5-9-24(26)23(22)7-4-3-6-19-12-16-21(17-13-19)25(27)28-2/h4-5,7-17,26H,1-2H3/b7-4+