(1S,3S,5R,7S)-3-methyl-5-oxidanyl-adamantane-1-carboxylate

Systemtic Name: (1S,3S,5R,7S)-3-methyl-5-oxidanyl-adamantane-1-carboxylate Openeye Name: (1S,3R,5S,7S)-3-hydroxy-5-methyl-adamantane-1-carboxylate CAS Name: (1S,3R,5S,7S)-3-hydroxy-5-methyl-1-adamantanecarboxylate IUPAC Name: (1S,3R,5S,7S)-3-hydroxy-5-methyladamantane-1-carboxylate Traditional Name: (1S,3R,5S,7S)-3-hydroxy-5-methyl-adamantane-1-carboxylate Formula: C12H17O3- MolecularWeight: 209.26158

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)O)C(=O)[O-]

Isomeric SMILES

C[C@]12C[C@H]3C[C@](C1)(C[C@@](C3)(C2)O)C(=O)[O-]

InChI

InChI=1S/C12H18O3/c1-10-2-8-3-11(5-10,9(13)14)7-12(15,4-8)6-10/h8,15H,2-7H2,1H3,(H,13,14)/p-1/t8-,10-,11-,12+/m0/s1