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

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5,6-pentamethylphenyl)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-(2,3,4,5,6-pentamethylphenyl)ethyl] ester Formula: C21H23ClO5S MolecularWeight: 422.92232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClO5S/c1-11-12(2)14(4)20(15(5)13(11)3)19(23)10-27-21(24)17-9-16(28(6,25)26)7-8-18(17)22/h7-9H,10H2,1-6H3