[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24O5S/c1-21(2,3)17-11-9-16(10-12-17)19(22)15-26-20(23)13-14-27(24,25)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3