1-(5-bromanyl-2-decoxy-phenyl)adamantane

Systemtic Name: 1-(5-bromanyl-2-decoxy-phenyl)adamantane Openeye Name: 1-(5-bromo-2-decoxy-phenyl)adamantane CAS Name: 1-(5-bromo-2-decoxyphenyl)adamantane IUPAC Name: 1-(5-bromo-2-decoxyphenyl)adamantane Traditional Name: 1-(5-bromo-2-decoxy-phenyl)adamantane Formula: C26H39BrO MolecularWeight: 447.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)Br)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)Br)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39BrO/c1-2-3-4-5-6-7-8-9-12-28-25-11-10-23(27)16-24(25)26-17-20-13-21(18-26)15-22(14-20)19-26/h10-11,16,20-22H,2-9,12-15,17-19H2,1H3