1-adamantyl 2-chloranyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-adamantyl 2-chloranyl-2-oxidanylidene-ethanoate Openeye Name: 1-adamantyl 2-chloro-2-oxo-acetate CAS Name: 2-chloro-2-oxoacetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-chloro-2-oxoacetate Traditional Name: 2-chloro-2-keto-acetic acid 1-adamantyl ester Formula: C12H15ClO3 MolecularWeight: 242.6987

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C(=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C(=O)Cl

InChI

InChI=1S/C12H15ClO3/c13-10(14)11(15)16-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2