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

Systemtic Name: (1S,3S,5S,7R)-3-bromanyl-5-methyl-adamantane-1-carboxylic acid Openeye Name: (1S,3S,5S,7R)-3-bromo-5-methyl-adamantane-1-carboxylic acid CAS Name: (1S,3S,5S,7R)-3-bromo-5-methyl-1-adamantanecarboxylic acid IUPAC Name: (1S,3S,5S,7R)-3-bromo-5-methyladamantane-1-carboxylic acid Traditional Name: (1S,3S,5S,7R)-3-bromo-5-methyl-adamantane-1-carboxylic acid Formula: C12H17BrO2 MolecularWeight: 273.16618

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrO2/c1-10-2-8-3-11(5-10,9(14)15)7-12(13,4-8)6-10/h8H,2-7H2,1H3,(H,14,15)/t8-,10+,11+,12+/m1/s1