dimethyl 5-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(3-bromo-1-adamantyl)acetyl]oxybenzene-1,3-dicarboxylate CAS Name: 5-[2-(3-bromo-1-adamantyl)-1-oxoethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(3-bromo-1-adamantyl)acetyl]oxybenzene-1,3-dicarboxylate Traditional Name: 5-[2-(3-bromo-1-adamantyl)acetyl]oxybenzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25BrO6 MolecularWeight: 465.3343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C(=O)OC

InChI

InChI=1S/C22H25BrO6/c1-27-19(25)15-4-16(20(26)28-2)6-17(5-15)29-18(24)11-21-7-13-3-14(8-21)10-22(23,9-13)12-21/h4-6,13-14H,3,7-12H2,1-2H3