3-ethyl-2-methoxy-4-methylsulfonyl-benzoate

Systemtic Name: 3-ethyl-2-methoxy-4-methylsulfonyl-benzoate Openeye Name: 3-ethyl-2-methoxy-4-methylsulfonyl-benzoate CAS Name: 3-ethyl-2-methoxy-4-methylsulfonylbenzoate IUPAC Name: 3-ethyl-2-methoxy-4-methylsulfonylbenzoate Traditional Name: 3-ethyl-4-mesyl-2-methoxy-benzoate Formula: C11H13O5S- MolecularWeight: 257.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OC)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1OC)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C11H14O5S/c1-4-7-9(17(3,14)15)6-5-8(11(12)13)10(7)16-2/h5-6H,4H2,1-3H3,(H,12,13)/p-1