methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-oxo-acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-oxoacetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-keto-acetic acid methyl ester Formula: C13H18O4 MolecularWeight: 240.272162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CO[14C](=O)C(=O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O

InChI

InChI=1S/C13H18O4/c1-17-11(15)10(14)12-3-8-2-9(4-12)6-13(16,5-8)7-12/h8-9,16H,2-7H2,1H3/t8-,9+,12?,13?/i11+2