(5S,7S)-3-ethyladamantane-1-carboxylic acid

Systemtic Name: (5S,7S)-3-ethyladamantane-1-carboxylic acid Openeye Name: (5S,7S)-3-ethyladamantane-1-carboxylic acid CAS Name: (5S,7S)-3-ethyl-1-adamantanecarboxylic acid IUPAC Name: (5S,7S)-3-ethyladamantane-1-carboxylic acid Traditional Name: (5S,7S)-3-ethyladamantane-1-carboxylic acid Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C13H20O2/c1-2-12-4-9-3-10(5-12)7-13(6-9,8-12)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10-,12?,13?/m0/s1