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

Systemtic Name: methyl 2-bromanyl-2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: methyl 2-bromo-2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-bromo-2-(3-hydroxy-1-adamantyl)acetic acid methyl ester IUPAC Name: methyl 2-bromo-2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-bromo-2-(3-hydroxy-1-adamantyl)acetic acid methyl ester Formula: C13H19BrO3 MolecularWeight: 303.19216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)(C2)O)Br

Isomeric SMILES

COC(=O)C(C12CC3CC(C1)CC(C3)(C2)O)Br

InChI

InChI=1S/C13H19BrO3/c1-17-11(15)10(14)12-3-8-2-9(4-12)6-13(16,5-8)7-12/h8-10,16H,2-7H2,1H3