1-[3,5-bis(bromanyl)-4-chloranyl-phenyl]adamantane

Systemtic Name: 1-[3,5-bis(bromanyl)-4-chloranyl-phenyl]adamantane Openeye Name: 1-(3,5-dibromo-4-chloro-phenyl)adamantane CAS Name: 1-(3,5-dibromo-4-chlorophenyl)adamantane IUPAC Name: 1-(3,5-dibromo-4-chlorophenyl)adamantane Traditional Name: 1-(3,5-dibromo-4-chloro-phenyl)adamantane Formula: C16H17Br2Cl MolecularWeight: 404.56718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)Br)Cl)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)Br)Cl)Br

InChI

InChI=1S/C16H17Br2Cl/c17-13-4-12(5-14(18)15(13)19)16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11H,1-3,6-8H2