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

Systemtic Name: 2-methyl-4-methylsulfonyl-3-propoxycarbonyl-benzoic acid Openeye Name: 2-methyl-4-methylsulfonyl-3-propoxycarbonyl-benzoic acid CAS Name: 2-methyl-4-methylsulfonyl-3-[oxo(propoxy)methyl]benzoic acid IUPAC Name: 2-methyl-4-methylsulfonyl-3-propoxycarbonylbenzoic acid Traditional Name: 4-mesyl-2-methyl-3-propoxycarbonyl-benzoic acid Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6S/c1-4-7-19-13(16)11-8(2)9(12(14)15)5-6-10(11)20(3,17)18/h5-6H,4,7H2,1-3H3,(H,14,15)