methyl (2S)-4-bromanyl-2-chloranyl-4-methyl-pentanoate

Systemtic Name: methyl (2S)-4-bromanyl-2-chloranyl-4-methyl-pentanoate Openeye Name: methyl (2S)-4-bromo-2-chloro-4-methyl-pentanoate CAS Name: (2S)-4-bromo-2-chloro-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-4-bromo-2-chloro-4-methylpentanoate Traditional Name: (2S)-4-bromo-2-chloro-4-methyl-valeric acid methyl ester Formula: C7H12BrClO2 MolecularWeight: 243.52598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)OC)Cl)Br

Isomeric SMILES

CC(C)(C[C@@H](C(=O)OC)Cl)Br

InChI

InChI=1S/C7H12BrClO2/c1-7(2,8)4-5(9)6(10)11-3/h5H,4H2,1-3H3/t5-/m0/s1