(3S)-3-(3,4-dichlorophenyl)-4-methyl-pentanoate

Systemtic Name: (3S)-3-(3,4-dichlorophenyl)-4-methyl-pentanoate Openeye Name: (3S)-3-(3,4-dichlorophenyl)-4-methyl-pentanoate CAS Name: (3S)-3-(3,4-dichlorophenyl)-4-methylpentanoate IUPAC Name: (3S)-3-(3,4-dichlorophenyl)-4-methylpentanoate Traditional Name: (3S)-3-(3,4-dichlorophenyl)-4-methyl-valerate Formula: C12H13Cl2O2- MolecularWeight: 260.13642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2O2/c1-7(2)9(6-12(15)16)8-3-4-10(13)11(14)5-8/h3-5,7,9H,6H2,1-2H3,(H,15,16)/p-1/t9-/m0/s1