[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,5-dichlorobenzoate CAS Name: 3,5-dichlorobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,5-dichlorobenzoate Traditional Name: 3,5-dichlorobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H20Cl2O3 MolecularWeight: 367.2663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2O3/c20-15-4-14(5-16(21)6-15)18(23)24-10-17(22)19-7-11-1-12(8-19)3-13(2-11)9-19/h4-6,11-13H,1-3,7-10H2