3-methyl-4-(2-methylsulfonyloxyethoxy)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-(2-methylsulfonyloxyethoxy)-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-(2-methylsulfonyloxyethoxy)benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-(2-methylsulfonyloxyethoxy)-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-(2-methylsulfonyloxyethoxy)-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-(2-methylsulfonyloxyethoxy)coumarilic acid Formula: C13H14O7S MolecularWeight: 314.31106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCOS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCOS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H14O7S/c1-8-11-9(18-6-7-19-21(2,16)17)4-3-5-10(11)20-12(8)13(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)