tert-butyl 4-[(2-methylsulfonyl-6-phenethyl-phenoxy)methyl]benzoate

Systemtic Name: tert-butyl 4-[(2-methylsulfonyl-6-phenethyl-phenoxy)methyl]benzoate Openeye Name: tert-butyl 4-[(2-methylsulfonyl-6-phenethyl-phenoxy)methyl]benzoate CAS Name: 4-[(2-methylsulfonyl-6-phenethylphenoxy)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methylsulfonyl-6-phenethylphenoxy)methyl]benzoate Traditional Name: 4-[(2-mesyl-6-phenethyl-phenoxy)methyl]benzoic acid tert-butyl ester Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2S(=O)(=O)C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2S(=O)(=O)C)CCC3=CC=CC=C3

InChI

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