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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)Br

InChI

InChI=1S/C13H19BrO2/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11H,2-7H2,1H3/t8?,9?,10?,11-,13?/m1/s1