methyl 3-methyl-5-oxidanyl-adamantane-1-carboxylate

Systemtic Name: methyl 3-methyl-5-oxidanyl-adamantane-1-carboxylate Openeye Name: methyl 3-hydroxy-5-methyl-adamantane-1-carboxylate CAS Name: 3-hydroxy-5-methyl-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-5-methyladamantane-1-carboxylate Traditional Name: 3-hydroxy-5-methyl-adamantane-1-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-11-3-9-4-12(6-11,10(14)16-2)8-13(15,5-9)7-11/h9,15H,3-8H2,1-2H3