(4-bromanyl-2-chloranyl-phenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C17H17BrCl2O2 MolecularWeight: 404.12568

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C17H17BrCl2O2/c18-12-1-2-14(13(19)4-12)22-15(21)16-5-10-3-11(6-16)8-17(20,7-10)9-16/h1-2,4,10-11H,3,5-9H2/t10-,11+,16?,17?