(5-ethanoyl-2-ethoxy-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O6S/c1-5-25-19-9-7-15(14(3)21)10-16(19)12-26-20(22)18-11-17(27(4,23)24)8-6-13(18)2/h6-11H,5,12H2,1-4H3