1-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-bromanyl-ethanone

Systemtic Name: 1-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-bromanyl-ethanone Openeye Name: 1-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-bromo-ethanone CAS Name: 1-[3-(1-adamantyl)-4-hydroxyphenyl]-2-bromoethanone IUPAC Name: 1-[3-(1-adamantyl)-4-hydroxyphenyl]-2-bromoethanone Traditional Name: 1-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-bromo-ethanone Formula: C18H21BrO2 MolecularWeight: 349.26214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)CBr)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)CBr)O

InChI

InChI=1S/C18H21BrO2/c19-10-17(21)14-1-2-16(20)15(6-14)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,20H,3-5,7-10H2