(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4S/c1-16-13-18(22(3,4)5)14-17(2)20(16)15-26-21(23)11-12-27(24,25)19-9-7-6-8-10-19/h6-10,13-14H,11-12,15H2,1-5H3