3-[4-(2-phenylethynyl)phenyl]carbonylnonanoic acid

Systemtic Name: 3-[4-(2-phenylethynyl)phenyl]carbonylnonanoic acid Openeye Name: 3-[4-(2-phenylethynyl)benzoyl]nonanoic acid CAS Name: 3-[oxo-[4-(2-phenylethynyl)phenyl]methyl]nonanoic acid IUPAC Name: 3-[4-(2-phenylethynyl)benzoyl]nonanoic acid Traditional Name: 3-[4-(2-phenylethynyl)benzoyl]pelargonic acid Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O3/c1-2-3-4-8-11-22(18-23(25)26)24(27)21-16-14-20(15-17-21)13-12-19-9-6-5-7-10-19/h5-7,9-10,14-17,22H,2-4,8,11,18H2,1H3,(H,25,26)