1-(5-ethynyl-2,4-dimethoxy-phenyl)adamantane

Systemtic Name: 1-(5-ethynyl-2,4-dimethoxy-phenyl)adamantane Openeye Name: 1-(5-ethynyl-2,4-dimethoxy-phenyl)adamantane CAS Name: 1-(5-ethynyl-2,4-dimethoxyphenyl)adamantane IUPAC Name: 1-(5-ethynyl-2,4-dimethoxyphenyl)adamantane Traditional Name: 1-(5-ethynyl-2,4-dimethoxy-phenyl)adamantane Formula: C20H24O2 MolecularWeight: 296.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C#C)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1C#C)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H24O2/c1-4-16-8-17(19(22-3)9-18(16)21-2)20-10-13-5-14(11-20)7-15(6-13)12-20/h1,8-9,13-15H,5-7,10-12H2,2-3H3