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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H20Br2O4 MolecularWeight: 472.1677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=CC(=C4O)Br)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=CC(=C4O)Br)Br

InChI

InChI=1S/C19H20Br2O4/c20-13-4-14(17(23)15(21)5-13)18(24)25-9-16(22)19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12,23H,1-3,6-9H2