[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3,4-bis(chloranyl)benzoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H16Cl2O3 MolecularWeight: 351.22384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C18H16Cl2O3/c1-10-4-5-13(8-11(10)2)17(21)12(3)23-18(22)14-6-7-15(19)16(20)9-14/h4-9,12H,1-3H3/t12-/m0/s1