2-[(3S,5R)-3,5-dimethyl-1-adamantyl]ethanoate

Systemtic Name: 2-[(3S,5R)-3,5-dimethyl-1-adamantyl]ethanoate Openeye Name: 2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate CAS Name: 2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate IUPAC Name: 2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate Traditional Name: 2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate Formula: C14H21O2- MolecularWeight: 221.31534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)CC(=O)[O-])C

InChI

InChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)/p-1/t10?,12-,13+,14?