(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H27ClO4S MolecularWeight: 422.96538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C)C(C)(C)C

InChI

InChI=1S/C22H27ClO4S/c1-15-12-17(22(3,4)5)13-16(2)20(15)14-27-21(24)10-11-28(25,26)19-8-6-18(23)7-9-19/h6-9,12-13H,10-11,14H2,1-5H3