(5R,7R)-3-acetyloxyadamantane-1-carboxylic acid

Systemtic Name: (5R,7R)-3-acetyloxyadamantane-1-carboxylic acid Openeye Name: (5R,7R)-3-acetoxyadamantane-1-carboxylic acid CAS Name: (5R,7R)-3-acetyloxy-1-adamantanecarboxylic acid IUPAC Name: (5R,7R)-3-acetyloxyadamantane-1-carboxylic acid Traditional Name: (5R,7R)-3-acetoxyadamantane-1-carboxylic acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)O

Isomeric SMILES

CC(=O)OC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C13H18O4/c1-8(14)17-13-5-9-2-10(6-13)4-12(3-9,7-13)11(15)16/h9-10H,2-7H2,1H3,(H,15,16)/t9-,10-,12?,13?/m1/s1