[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C)C

InChI

InChI=1S/C20H21ClO5S/c1-11-8-13(3)16(9-12(11)2)19(22)14(4)26-20(23)17-10-15(27(5,24)25)6-7-18(17)21/h6-10,14H,1-5H3