3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propane-1,2-diol

Systemtic Name: 3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propane-1,2-diol Openeye Name: 3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propane-1,2-diol CAS Name: 3-[2-(1-adamantyl)-4-ethynylphenoxy]propane-1,2-diol IUPAC Name: 3-[2-(1-adamantyl)-4-ethynylphenoxy]propane-1,2-diol Traditional Name: 3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propane-1,2-diol Formula: C21H26O3 MolecularWeight: 326.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)OCC(CO)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C#CC1=CC(=C(C=C1)OCC(CO)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O3/c1-2-14-3-4-20(24-13-18(23)12-22)19(8-14)21-9-15-5-16(10-21)7-17(6-15)11-21/h1,3-4,8,15-18,22-23H,5-7,9-13H2