(5S,7S)-3-(2-bromoethyl)adamantane-1-carboxylic acid

Systemtic Name: (5S,7S)-3-(2-bromoethyl)adamantane-1-carboxylic acid Openeye Name: (5S,7S)-3-(2-bromoethyl)adamantane-1-carboxylic acid CAS Name: (5S,7S)-3-(2-bromoethyl)-1-adamantanecarboxylic acid IUPAC Name: (5S,7S)-3-(2-bromoethyl)adamantane-1-carboxylic acid Traditional Name: (5S,7S)-3-(2-bromoethyl)adamantane-1-carboxylic acid Formula: C13H19BrO2 MolecularWeight: 287.19276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)CCBr

Isomeric SMILES

C1[C@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)O)CCBr

InChI

InChI=1S/C13H19BrO2/c14-2-1-12-4-9-3-10(5-12)7-13(6-9,8-12)11(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10-,12?,13?/m0/s1