(5-ethanoyl-2-methoxy-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C20H22O6S/c1-14-4-7-18(8-5-14)27(23,24)11-10-20(22)26-13-17-12-16(15(2)21)6-9-19(17)25-3/h4-9,12H,10-11,13H2,1-3H3