[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H26O5S/c1-6-28(25,26)19-10-8-7-9-18(19)21(24)27-15(2)20(23)16-11-13-17(14-12-16)22(3,4)5/h7-15H,6H2,1-5H3/t15-/m1/s1