[3-[2,2-bis(bromanyl)ethanoyl]phenyl] adamantane-1-carboxylate

Systemtic Name: [3-[2,2-bis(bromanyl)ethanoyl]phenyl] adamantane-1-carboxylate Openeye Name: [3-(2,2-dibromoacetyl)phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-(2,2-dibromo-1-oxoethyl)phenyl] ester IUPAC Name: [3-(2,2-dibromoacetyl)phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-(2,2-dibromoacetyl)phenyl] ester Formula: C19H20Br2O3 MolecularWeight: 456.1683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=CC(=C4)C(=O)C(Br)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=CC(=C4)C(=O)C(Br)Br

InChI

InChI=1S/C19H20Br2O3/c20-17(21)16(22)14-2-1-3-15(7-14)24-18(23)19-8-11-4-12(9-19)6-13(5-11)10-19/h1-3,7,11-13,17H,4-6,8-10H2