2-[(5R,7R)-3-sulfanyl-1-adamantyl]ethanoic acid

Systemtic Name: 2-[(5R,7R)-3-sulfanyl-1-adamantyl]ethanoic acid Openeye Name: 2-[(5R,7R)-3-sulfanyl-1-adamantyl]acetic acid CAS Name: 2-[(5R,7R)-3-mercapto-1-adamantyl]acetic acid IUPAC Name: 2-[(5R,7R)-3-sulfanyl-1-adamantyl]acetic acid Traditional Name: 2-[(5R,7R)-3-mercapto-1-adamantyl]acetic acid Formula: C12H18O2S MolecularWeight: 226.33512

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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)/t8-,9-,11?,12?/m1/s1