ethyl 3,5-bis[2-(4-methylphenyl)ethynyl]-4-oxidanyl-benzoate

Systemtic Name: ethyl 3,5-bis[2-(4-methylphenyl)ethynyl]-4-oxidanyl-benzoate Openeye Name: ethyl 4-hydroxy-3,5-bis[2-(p-tolyl)ethynyl]benzoate CAS Name: 4-hydroxy-3,5-bis[2-(4-methylphenyl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3,5-bis[2-(4-methylphenyl)ethynyl]benzoate Traditional Name: 4-hydroxy-3,5-bis[2-(p-tolyl)ethynyl]benzoic acid ethyl ester Formula: C27H22O3 MolecularWeight: 394.46178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C#CC2=CC=C(C=C2)C)O)C#CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C#CC2=CC=C(C=C2)C)O)C#CC3=CC=C(C=C3)C

InChI

InChI=1S/C27H22O3/c1-4-30-27(29)25-17-23(15-13-21-9-5-19(2)6-10-21)26(28)24(18-25)16-14-22-11-7-20(3)8-12-22/h5-12,17-18,28H,4H2,1-3H3