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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H24O6S/c1-4-26-20-10-7-17(16(3)22)13-18(20)14-27-21(23)11-12-28(24,25)19-8-5-15(2)6-9-19/h5-10,13H,4,11-12,14H2,1-3H3