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

Systemtic Name: methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid methyl ester Formula: C12H17ClO2 MolecularWeight: 228.71518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)Cl

InChI

InChI=1S/C12H17ClO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7H2,1H3/t8-,9+,11?,12?