methyl 2,2-bis(bromanyl)-2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: methyl 2,2-bis(bromanyl)-2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: methyl 2,2-dibromo-2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2,2-dibromo-2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid methyl ester IUPAC Name: methyl 2,2-dibromo-2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2,2-dibromo-2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid methyl ester Formula: C13H17Br3O2 MolecularWeight: 444.98488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C(C12C[C@H]3C[C@@H](C1)CC(C3)(C2)Br)(Br)Br

InChI

InChI=1S/C13H17Br3O2/c1-18-10(17)13(15,16)11-3-8-2-9(4-11)6-12(14,5-8)7-11/h8-9H,2-7H2,1H3/t8-,9+,11?,12?