(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H25ClO4S MolecularWeight: 408.9388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)C)C(C)(C)C

InChI

InChI=1S/C21H25ClO4S/c1-13-9-15(21(3,4)5)10-14(2)18(13)12-26-20(23)17-11-16(27(6,24)25)7-8-19(17)22/h7-11H,12H2,1-6H3