ethyl 3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]carbonylnonanoate

Systemtic Name: ethyl 3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]carbonylnonanoate Openeye Name: ethyl 3-[4-[2-(4-chlorophenyl)ethynyl]benzoyl]nonanoate CAS Name: 3-[[4-[2-(4-chlorophenyl)ethynyl]phenyl]-oxomethyl]nonanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4-chlorophenyl)ethynyl]benzoyl]nonanoate Traditional Name: 3-[4-[2-(4-chlorophenyl)ethynyl]benzoyl]pelargonic acid ethyl ester Formula: C26H29ClO3 MolecularWeight: 424.95966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClO3/c1-3-5-6-7-8-23(19-25(28)30-4-2)26(29)22-15-11-20(12-16-22)9-10-21-13-17-24(27)18-14-21/h11-18,23H,3-8,19H2,1-2H3