1-[4-(2-phenylethynyl)phenyl]adamantane

Systemtic Name: 1-[4-(2-phenylethynyl)phenyl]adamantane Openeye Name: 1-[4-(2-phenylethynyl)phenyl]adamantane CAS Name: 1-[4-(2-phenylethynyl)phenyl]adamantane IUPAC Name: 1-[4-(2-phenylethynyl)phenyl]adamantane Traditional Name: 1-[4-(2-phenylethynyl)phenyl]adamantane Formula: C24H24 MolecularWeight: 312.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C24H24/c1-2-4-18(5-3-1)6-7-19-8-10-23(11-9-19)24-15-20-12-21(16-24)14-22(13-20)17-24/h1-5,8-11,20-22H,12-17H2