2-[(2R,3S,4R)-4-phenyl-2-(2-phenylethynyl)oxan-3-yl]ethanoic acid

Systemtic Name: 2-[(2R,3S,4R)-4-phenyl-2-(2-phenylethynyl)oxan-3-yl]ethanoic acid Openeye Name: 2-[(2R,3S,4R)-4-phenyl-2-(2-phenylethynyl)tetrahydropyran-3-yl]acetic acid CAS Name: 2-[(2R,3S,4R)-4-phenyl-2-(2-phenylethynyl)-3-oxanyl]acetic acid IUPAC Name: 2-[(2R,3S,4R)-4-phenyl-2-(2-phenylethynyl)oxan-3-yl]acetic acid Traditional Name: 2-[(2R,3S,4R)-4-phenyl-2-(2-phenylethynyl)tetrahydropyran-3-yl]acetic acid Formula: C21H20O3 MolecularWeight: 320.3817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(C1C2=CC=CC=C2)CC(=O)O)C#CC3=CC=CC=C3

Isomeric SMILES

C1CO[C@H]([C@H]([C@@H]1C2=CC=CC=C2)CC(=O)O)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H20O3/c22-21(23)15-19-18(17-9-5-2-6-10-17)13-14-24-20(19)12-11-16-7-3-1-4-8-16/h1-10,18-20H,13-15H2,(H,22,23)/t18-,19-,20-/m0/s1