phenyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: phenyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: phenyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid phenyl ester IUPAC Name: phenyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid phenyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C17H20O3/c18-15(20-14-4-2-1-3-5-14)16-7-12-6-13(8-16)10-17(19,9-12)11-16/h1-5,12-13,19H,6-11H2/t12-,13+,16?,17?