[4-[2-(2,4,5-trimethylphenyl)ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(2,4,5-trimethylphenyl)ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(2,4,5-trimethylphenyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(2,4,5-trimethylphenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(2,4,5-trimethylphenyl)ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(2,4,5-trimethylphenyl)ethynyl]phenyl] ester Formula: C22H24O2 MolecularWeight: 320.42476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC(=C(C=C2C)C)C

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C22H24O2/c1-6-15(2)22(23)24-21-11-8-19(9-12-21)7-10-20-14-17(4)16(3)13-18(20)5/h8-9,11-15H,6H2,1-5H3