2-[(5S,7R)-2-oxidanylidene-1-adamantyl]ethanoic acid

Systemtic Name: 2-[(5S,7R)-2-oxidanylidene-1-adamantyl]ethanoic acid Openeye Name: 2-[(5S,7R)-2-oxo-1-adamantyl]acetic acid CAS Name: 2-[(5S,7R)-2-oxo-1-adamantyl]acetic acid IUPAC Name: 2-[(5S,7R)-2-oxo-1-adamantyl]acetic acid Traditional Name: 2-[(5S,7R)-2-keto-1-adamantyl]acetic acid Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3=O)CC(=O)O

Isomeric SMILES

C1[C@@H]2CC3C[C@H]1CC(C2)(C3=O)CC(=O)O

InChI

InChI=1S/C12H16O3/c13-10(14)6-12-4-7-1-8(5-12)3-9(2-7)11(12)15/h7-9H,1-6H2,(H,13,14)/t7-,8+,9?,12?