(2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoate IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)butyrate Formula: C12H14ClO3- MolecularWeight: 241.69076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=CC(=C(C(=C1)C)Cl)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])OC1=CC(=C(C(=C1)C)Cl)C

InChI

InChI=1S/C12H15ClO3/c1-4-10(12(14)15)16-9-5-7(2)11(13)8(3)6-9/h5-6,10H,4H2,1-3H3,(H,14,15)/p-1/t10-/m0/s1