2-[2-(1-adamantyl)-5-bromanyl-phenoxy]oxane

Systemtic Name: 2-[2-(1-adamantyl)-5-bromanyl-phenoxy]oxane Openeye Name: 2-[2-(1-adamantyl)-5-bromo-phenoxy]tetrahydropyran CAS Name: 2-[2-(1-adamantyl)-5-bromophenoxy]oxane IUPAC Name: 2-[2-(1-adamantyl)-5-bromophenoxy]oxane Traditional Name: 2-[2-(1-adamantyl)-5-bromo-phenoxy]tetrahydropyran Formula: C21H27BrO2 MolecularWeight: 391.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=C(C=CC(=C2)Br)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCOC(C1)OC2=C(C=CC(=C2)Br)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27BrO2/c22-17-4-5-18(19(10-17)24-20-3-1-2-6-23-20)21-11-14-7-15(12-21)9-16(8-14)13-21/h4-5,10,14-16,20H,1-3,6-9,11-13H2