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

Systemtic Name: 1-(5-ethynyl-2-nonoxy-phenyl)adamantane Openeye Name: 1-(5-ethynyl-2-nonoxy-phenyl)adamantane CAS Name: 1-(5-ethynyl-2-nonoxyphenyl)adamantane IUPAC Name: 1-(5-ethynyl-2-nonoxyphenyl)adamantane Traditional Name: 1-(5-ethynyl-2-nonoxy-phenyl)adamantane Formula: C27H38O MolecularWeight: 378.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C#C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H38O/c1-3-5-6-7-8-9-10-13-28-26-12-11-21(4-2)17-25(26)27-18-22-14-23(19-27)16-24(15-22)20-27/h2,11-12,17,22-24H,3,5-10,13-16,18-20H2,1H3