ethyl 4-butyl-2,6-diphenyl-3-(2-phenylethynyl)benzoate

Systemtic Name: ethyl 4-butyl-2,6-diphenyl-3-(2-phenylethynyl)benzoate Openeye Name: ethyl 4-butyl-2,6-diphenyl-3-(2-phenylethynyl)benzoate CAS Name: 4-butyl-2,6-diphenyl-3-(2-phenylethynyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-butyl-2,6-diphenyl-3-(2-phenylethynyl)benzoate Traditional Name: 4-butyl-2,6-diphenyl-3-(2-phenylethynyl)benzoic acid ethyl ester Formula: C33H30O2 MolecularWeight: 458.5901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C33H30O2/c1-3-5-17-28-24-30(26-18-11-7-12-19-26)32(33(34)35-4-2)31(27-20-13-8-14-21-27)29(28)23-22-25-15-9-6-10-16-25/h6-16,18-21,24H,3-5,17H2,1-2H3