(3S)-3-(4-bromophenyl)-4,4-dimethyl-pentanoate

Systemtic Name: (3S)-3-(4-bromophenyl)-4,4-dimethyl-pentanoate Openeye Name: (3S)-3-(4-bromophenyl)-4,4-dimethyl-pentanoate CAS Name: (3S)-3-(4-bromophenyl)-4,4-dimethylpentanoate IUPAC Name: (3S)-3-(4-bromophenyl)-4,4-dimethylpentanoate Traditional Name: (3S)-3-(4-bromophenyl)-4,4-dimethyl-valerate Formula: C13H16BrO2- MolecularWeight: 284.16894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)[O-])C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C)[C@H](CC(=O)[O-])C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H17BrO2/c1-13(2,3)11(8-12(15)16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H,15,16)/p-1/t11-/m1/s1