ethyl 3-[4-(2-phenylethynyl)phenyl]carbonylnonanoate

Systemtic Name: ethyl 3-[4-(2-phenylethynyl)phenyl]carbonylnonanoate Openeye Name: ethyl 3-[4-(2-phenylethynyl)benzoyl]nonanoate CAS Name: 3-[oxo-[4-(2-phenylethynyl)phenyl]methyl]nonanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-phenylethynyl)benzoyl]nonanoate Traditional Name: 3-[4-(2-phenylethynyl)benzoyl]pelargonic acid ethyl ester Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)OCC)C(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(CC(=O)OCC)C(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C26H30O3/c1-3-5-6-10-13-24(20-25(27)29-4-2)26(28)23-18-16-22(17-19-23)15-14-21-11-8-7-9-12-21/h7-9,11-12,16-19,24H,3-6,10,13,20H2,1-2H3