(3S)-3-(4-chlorophenyl)-4-methyl-pentanoate

Systemtic Name: (3S)-3-(4-chlorophenyl)-4-methyl-pentanoate Openeye Name: (3S)-3-(4-chlorophenyl)-4-methyl-pentanoate CAS Name: (3S)-3-(4-chlorophenyl)-4-methylpentanoate IUPAC Name: (3S)-3-(4-chlorophenyl)-4-methylpentanoate Traditional Name: (3S)-3-(4-chlorophenyl)-4-methyl-valerate Formula: C12H14ClO2- MolecularWeight: 225.69136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO2/c1-8(2)11(7-12(14)15)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,15)/p-1/t11-/m0/s1