1-[2-(1-adamantyl)-4-ethynyl-phenoxy]propyl ethanoate

Systemtic Name: 1-[2-(1-adamantyl)-4-ethynyl-phenoxy]propyl ethanoate Openeye Name: 1-[2-(1-adamantyl)-4-ethynyl-phenoxy]propyl acetate CAS Name: acetic acid 1-[2-(1-adamantyl)-4-ethynylphenoxy]propyl ester IUPAC Name: 1-[2-(1-adamantyl)-4-ethynylphenoxy]propyl acetate Traditional Name: acetic acid 1-[2-(1-adamantyl)-4-ethynyl-phenoxy]propyl ester Formula: C23H28O3 MolecularWeight: 352.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3)OC(=O)C

Isomeric SMILES

CCC(OC1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3)OC(=O)C

InChI

InChI=1S/C23H28O3/c1-4-16-6-7-21(26-22(5-2)25-15(3)24)20(11-16)23-12-17-8-18(13-23)10-19(9-17)14-23/h1,6-7,11,17-19,22H,5,8-10,12-14H2,2-3H3