[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester Formula: C27H22O2 MolecularWeight: 378.46238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C27H22O2/c1-3-21(2)27(28)29-26-19-17-25(18-20-26)16-15-24-13-11-23(12-14-24)10-9-22-7-5-4-6-8-22/h4-8,11-14,17-21H,3H2,1-2H3