methyl 3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-2-(trifluoromethylsulfonyloxy)butanoate

Systemtic Name: methyl 3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-2-(trifluoromethylsulfonyloxy)butanoate Openeye Name: methyl 3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-2-(trifluoromethylsulfonyloxy)butanoate CAS Name: 3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-2-(trifluoromethylsulfonyloxy)butanoic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-2-(trifluoromethylsulfonyloxy)butanoate Traditional Name: 3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-2-triflyloxy-butyric acid methyl ester Formula: C20H21F3O8S2 MolecularWeight: 510.50115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(C(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(C(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H21F3O8S2/c1-19(2,17(18(24)29-3)31-33(27,28)20(21,22)23)13-32(25,26)16-11-9-15(10-12-16)30-14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3