3-(1-methoxyethyl)-2-methyl-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-(1-methoxyethyl)-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-(1-methoxyethyl)-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-(1-methoxyethyl)-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-(1-methoxyethyl)-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 4-mesyl-3-(1-methoxyethyl)-2-methyl-benzoic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(C)OC)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C(C)OC)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16O5S/c1-7-9(12(13)14)5-6-10(18(4,15)16)11(7)8(2)17-3/h5-6,8H,1-4H3,(H,13,14)