(2-methylsulfonylphenoxy)methyl 3-tert-butyl-2-phenethyl-benzoate

Systemtic Name: (2-methylsulfonylphenoxy)methyl 3-tert-butyl-2-phenethyl-benzoate Openeye Name: (2-methylsulfonylphenoxy)methyl 3-tert-butyl-2-phenethyl-benzoate CAS Name: 3-tert-butyl-2-phenethylbenzoic acid (2-methylsulfonylphenoxy)methyl ester IUPAC Name: (2-methylsulfonylphenoxy)methyl 3-tert-butyl-2-phenethylbenzoate Traditional Name: 3-tert-butyl-2-phenethyl-benzoic acid (2-mesylphenoxy)methyl ester Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1CCC2=CC=CC=C2)C(=O)OCOC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1CCC2=CC=CC=C2)C(=O)OCOC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C27H30O5S/c1-27(2,3)23-14-10-13-22(21(23)18-17-20-11-6-5-7-12-20)26(28)32-19-31-24-15-8-9-16-25(24)33(4,29)30/h5-16H,17-19H2,1-4H3