2-(3H-1,2-benzoxazol-2-yl)-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-(3H-1,2-benzoxazol-2-yl)-2-methyl-propane-1-sulfonic acid Openeye Name: 2-(3H-1,2-benzoxazol-2-yl)-2-methyl-propane-1-sulfonic acid CAS Name: 2-(3H-1,2-benzoxazol-2-yl)-2-methyl-1-propanesulfonic acid IUPAC Name: 2-(3H-1,2-benzoxazol-2-yl)-2-methylpropane-1-sulfonic acid Traditional Name: 2-(3H-indoxazen-2-yl)-2-methyl-propane-1-sulfonic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)N1CC2=CC=CC=C2O1

Isomeric SMILES

CC(C)(CS(=O)(=O)O)N1CC2=CC=CC=C2O1

InChI

InChI=1S/C11H15NO4S/c1-11(2,8-17(13,14)15)12-7-9-5-3-4-6-10(9)16-12/h3-6H,7-8H2,1-2H3,(H,13,14,15)