2-[4-bromanyl-2,5-bis(3,3-dimethylbut-1-ynyl)phenyl]-1,3-dioxolane

Systemtic Name: 2-[4-bromanyl-2,5-bis(3,3-dimethylbut-1-ynyl)phenyl]-1,3-dioxolane Openeye Name: 2-[4-bromo-2,5-bis(3,3-dimethylbut-1-ynyl)phenyl]-1,3-dioxolane CAS Name: 2-[4-bromo-2,5-bis(3,3-dimethylbut-1-ynyl)phenyl]-1,3-dioxolane IUPAC Name: 2-[4-bromo-2,5-bis(3,3-dimethylbut-1-ynyl)phenyl]-1,3-dioxolane Traditional Name: 2-[4-bromo-2,5-bis(3,3-dimethylbut-1-ynyl)phenyl]-1,3-dioxolane Formula: C21H25BrO2 MolecularWeight: 389.326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC(=C(C=C1Br)C#CC(C)(C)C)C2OCCO2

Isomeric SMILES

CC(C)(C)C#CC1=CC(=C(C=C1Br)C#CC(C)(C)C)C2OCCO2

InChI

InChI=1S/C21H25BrO2/c1-20(2,3)9-7-15-14-18(22)16(8-10-21(4,5)6)13-17(15)19-23-11-12-24-19/h13-14,19H,11-12H2,1-6H3