3-ethanoyl-5-oxidanyl-adamantane-1-carboxylic acid

Systemtic Name: 3-ethanoyl-5-oxidanyl-adamantane-1-carboxylic acid Openeye Name: 3-acetyl-5-hydroxy-adamantane-1-carboxylic acid CAS Name: 3-acetyl-5-hydroxy-1-adamantanecarboxylic acid IUPAC Name: 3-acetyl-5-hydroxyadamantane-1-carboxylic acid Traditional Name: 3-acetyl-5-hydroxy-adamantane-1-carboxylic acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C12CC3CC(C1)(CC(C3)(C2)O)C(=O)O

Isomeric SMILES

CC(=O)C12CC3CC(C1)(CC(C3)(C2)O)C(=O)O

InChI

InChI=1S/C13H18O4/c1-8(14)11-2-9-3-12(5-11,10(15)16)7-13(17,4-9)6-11/h9,17H,2-7H2,1H3,(H,15,16)