3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propan-1-ol

Systemtic Name: 3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propan-1-ol Openeye Name: 3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propan-1-ol CAS Name: 3-[2-(1-adamantyl)-4-ethynylphenoxy]-1-propanol IUPAC Name: 3-[2-(1-adamantyl)-4-ethynylphenoxy]propan-1-ol Traditional Name: 3-[2-(1-adamantyl)-4-ethynyl-phenoxy]propan-1-ol Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)OCCCO)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C#CC1=CC(=C(C=C1)OCCCO)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O2/c1-2-15-4-5-20(23-7-3-6-22)19(11-15)21-12-16-8-17(13-21)10-18(9-16)14-21/h1,4-5,11,16-18,22H,3,6-10,12-14H2