2-[(5S,7R)-3-sulfanyl-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-sulfanyl-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-sulfanyl-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-mercapto-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-sulfanyl-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-mercapto-1-adamantyl]acetate Formula: C12H17O2S- MolecularWeight: 225.32718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)S)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2S/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)/p-1/t8-,9+,11?,12?