2,2-dimethylpropyl (3R,4S)-4-chloranyl-4-phenyl-3-phenylselanyl-butanoate

Systemtic Name: 2,2-dimethylpropyl (3R,4S)-4-chloranyl-4-phenyl-3-phenylselanyl-butanoate Openeye Name: 2,2-dimethylpropyl (3R,4S)-4-chloro-4-phenyl-3-phenylselanyl-butanoate CAS Name: (3R,4S)-4-chloro-4-phenyl-3-(phenylseleno)butanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (3R,4S)-4-chloro-4-phenyl-3-phenylselanylbutanoate Traditional Name: (3R,4S)-4-chloro-4-phenyl-3-(phenylseleno)butyric acid neopentyl ester Formula: C21H25ClO2Se MolecularWeight: 423.835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)CC(C(C1=CC=CC=C1)Cl)[Se]C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)COC(=O)C[C@H]([C@H](C1=CC=CC=C1)Cl)[Se]C2=CC=CC=C2

InChI

InChI=1S/C21H25ClO2Se/c1-21(2,3)15-24-19(23)14-18(25-17-12-8-5-9-13-17)20(22)16-10-6-4-7-11-16/h4-13,18,20H,14-15H2,1-3H3/t18-,20+/m1/s1