(4-tert-butylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (4-tert-butylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (4-tert-butylbenzyl) ester Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H24O4S/c1-14-6-11-17(25(5,22)23)12-18(14)19(21)24-13-15-7-9-16(10-8-15)20(2,3)4/h6-12H,13H2,1-5H3