1-(5-ethynyl-2-heptoxy-phenyl)adamantane

Systemtic Name: 1-(5-ethynyl-2-heptoxy-phenyl)adamantane Openeye Name: 1-(5-ethynyl-2-heptoxy-phenyl)adamantane CAS Name: 1-(5-ethynyl-2-heptoxyphenyl)adamantane IUPAC Name: 1-(5-ethynyl-2-heptoxyphenyl)adamantane Traditional Name: 1-(5-ethynyl-2-heptoxy-phenyl)adamantane Formula: C25H34O MolecularWeight: 350.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34O/c1-3-5-6-7-8-11-26-24-10-9-19(4-2)15-23(24)25-16-20-12-21(17-25)14-22(13-20)18-25/h2,9-10,15,20-22H,3,5-8,11-14,16-18H2,1H3