methyl (3S,5R)-4-chloranyl-4-methyl-adamantane-1-carboxylate

Systemtic Name: methyl (3S,5R)-4-chloranyl-4-methyl-adamantane-1-carboxylate Openeye Name: methyl (3S,5R)-4-chloro-4-methyl-adamantane-1-carboxylate CAS Name: (3S,5R)-4-chloro-4-methyl-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (3S,5R)-4-chloro-4-methyladamantane-1-carboxylate Traditional Name: (3S,5R)-4-chloro-4-methyl-adamantane-1-carboxylic acid methyl ester Formula: C13H19ClO2 MolecularWeight: 242.74176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC3CC1CC(C3)(C2)C(=O)OC)Cl

Isomeric SMILES

CC1([C@@H]2CC3C[C@H]1CC(C2)(C3)C(=O)OC)Cl

InChI

InChI=1S/C13H19ClO2/c1-12(14)9-3-8-4-10(12)7-13(5-8,6-9)11(15)16-2/h8-10H,3-7H2,1-2H3/t8?,9-,10+,12?,13?