3-ethoxycarbonyl-2-methyl-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-ethoxycarbonyl-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-ethoxycarbonyl-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-ethoxycarbonyl-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-ethoxycarbonyl-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 3-carbethoxy-4-mesyl-2-methyl-benzoic acid Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H14O6S/c1-4-18-12(15)10-7(2)8(11(13)14)5-6-9(10)19(3,16)17/h5-6H,4H2,1-3H3,(H,13,14)