(4-oxidanyl-4-phenyl-butyl) 2-(2-phenylethynyl)benzoate

Systemtic Name: (4-oxidanyl-4-phenyl-butyl) 2-(2-phenylethynyl)benzoate Openeye Name: (4-hydroxy-4-phenyl-butyl) 2-(2-phenylethynyl)benzoate CAS Name: 2-(2-phenylethynyl)benzoic acid (4-hydroxy-4-phenylbutyl) ester IUPAC Name: (4-hydroxy-4-phenylbutyl) 2-(2-phenylethynyl)benzoate Traditional Name: 2-(2-phenylethynyl)benzoic acid (4-hydroxy-4-phenyl-butyl) ester Formula: C25H22O3 MolecularWeight: 370.44038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2C(=O)OCCCC(C3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2C(=O)OCCCC(C3=CC=CC=C3)O

InChI

InChI=1S/C25H22O3/c26-24(22-13-5-2-6-14-22)16-9-19-28-25(27)23-15-8-7-12-21(23)18-17-20-10-3-1-4-11-20/h1-8,10-15,24,26H,9,16,19H2