[2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-(2,3,4,6-tetramethylphenyl)ethyl] ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClO5S/c1-11-8-12(2)19(14(4)13(11)3)18(22)10-26-20(23)16-9-15(27(5,24)25)6-7-17(16)21/h6-9H,10H2,1-5H3