methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid methyl ester Formula: C13H19BrO2 MolecularWeight: 287.19276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

COC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

InChI

InChI=1S/C13H19BrO2/c1-16-11(15)7-12-3-9-2-10(4-12)6-13(14,5-9)8-12/h9-10H,2-8H2,1H3