4-[[2-(1-adamantyl)-4-bromanyl-phenoxy]methyl]-2,2-dimethyl-1,3-dioxolane

Systemtic Name: 4-[[2-(1-adamantyl)-4-bromanyl-phenoxy]methyl]-2,2-dimethyl-1,3-dioxolane Openeye Name: 4-[[2-(1-adamantyl)-4-bromo-phenoxy]methyl]-2,2-dimethyl-1,3-dioxolane CAS Name: 4-[[2-(1-adamantyl)-4-bromophenoxy]methyl]-2,2-dimethyl-1,3-dioxolane IUPAC Name: 4-[[2-(1-adamantyl)-4-bromophenoxy]methyl]-2,2-dimethyl-1,3-dioxolane Traditional Name: 4-[[2-(1-adamantyl)-4-bromo-phenoxy]methyl]-2,2-dimethyl-1,3-dioxolane Formula: C22H29BrO3 MolecularWeight: 421.36786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC2=C(C=C(C=C2)Br)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1(OCC(O1)COC2=C(C=C(C=C2)Br)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H29BrO3/c1-21(2)25-13-18(26-21)12-24-20-4-3-17(23)8-19(20)22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16,18H,5-7,9-13H2,1-2H3