[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H19Cl3O3 MolecularWeight: 401.71136

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=CC(=C4Cl)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=CC(=C4Cl)Cl)Cl

InChI

InChI=1S/C19H19Cl3O3/c20-13-1-2-14(21)17(22)16(13)18(24)25-9-15(23)19-6-10-3-11(7-19)5-12(4-10)8-19/h1-2,10-12H,3-9H2