2-(5-methyl-2-methylsulfonyl-phenyl)ethanoate

Systemtic Name: 2-(5-methyl-2-methylsulfonyl-phenyl)ethanoate Openeye Name: 2-(5-methyl-2-methylsulfonyl-phenyl)acetate CAS Name: 2-(5-methyl-2-methylsulfonylphenyl)acetate IUPAC Name: 2-(5-methyl-2-methylsulfonylphenyl)acetate Traditional Name: 2-(2-mesyl-5-methyl-phenyl)acetate Formula: C10H11O4S- MolecularWeight: 227.25694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C)CC(=O)[O-]

InChI

InChI=1S/C10H12O4S/c1-7-3-4-9(15(2,13)14)8(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1