2-(1-benzofuran-3-yl)-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-(1-benzofuran-3-yl)-2-methyl-propane-1-sulfonic acid Openeye Name: 2-(benzofuran-3-yl)-2-methyl-propane-1-sulfonic acid CAS Name: 2-(3-benzofuranyl)-2-methyl-1-propanesulfonic acid IUPAC Name: 2-(1-benzofuran-3-yl)-2-methylpropane-1-sulfonic acid Traditional Name: 2-(benzofuran-3-yl)-2-methyl-propane-1-sulfonic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)C1=COC2=CC=CC=C21

Isomeric SMILES

CC(C)(CS(=O)(=O)O)C1=COC2=CC=CC=C21

InChI

InChI=1S/C12H14O4S/c1-12(2,8-17(13,14)15)10-7-16-11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3,(H,13,14,15)