(4,5-dimethoxy-2-methyl-phenyl)methyl 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C19H21FO6S MolecularWeight: 396.429843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FO6S/c1-13-10-17(24-2)18(25-3)11-14(13)12-26-19(21)8-9-27(22,23)16-6-4-15(20)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3