(1S,3S,5S,7R)-3-bromanyl-5-ethyl-adamantane-1-carboxylic acid

Systemtic Name: (1S,3S,5S,7R)-3-bromanyl-5-ethyl-adamantane-1-carboxylic acid Openeye Name: (1S,3S,5S,7R)-3-bromo-5-ethyl-adamantane-1-carboxylic acid CAS Name: (1S,3S,5S,7R)-3-bromo-5-ethyl-1-adamantanecarboxylic acid IUPAC Name: (1S,3S,5S,7R)-3-bromo-5-ethyladamantane-1-carboxylic acid Traditional Name: (1S,3S,5S,7R)-3-bromo-5-ethyl-adamantane-1-carboxylic acid Formula: C13H19BrO2 MolecularWeight: 287.19276

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)O

Isomeric SMILES

CC[C@]12C[C@@H]3C[C@](C1)(C[C@](C3)(C2)Br)C(=O)O

InChI

InChI=1S/C13H19BrO2/c1-2-11-3-9-4-12(6-11,10(15)16)8-13(14,5-9)7-11/h9H,2-8H2,1H3,(H,15,16)/t9-,11+,12+,13+/m1/s1