2-(4-oxidanylidene-1-adamantyl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-1-adamantyl)ethanoic acid Openeye Name: 2-(4-oxo-1-adamantyl)acetic acid CAS Name: 2-(4-oxo-1-adamantyl)acetic acid IUPAC Name: 2-(4-oxo-1-adamantyl)acetic acid Traditional Name: 2-(4-keto-1-adamantyl)acetic acid Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=O)CC(=O)O

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3=O)CC(=O)O

InChI

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