(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methylsulfonylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O4S/c1-14-10-17(21(3,4)5)11-15(2)19(14)13-25-20(22)16-8-7-9-18(12-16)26(6,23)24/h7-12H,13H2,1-6H3