(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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