(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)C)C(C)(C)C

InChI

InChI=1S/C22H28O4S/c1-15-11-19(22(3,4)5)12-16(2)20(15)13-26-21(23)18-9-7-17(8-10-18)14-27(6,24)25/h7-12H,13-14H2,1-6H3