1-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-propane-1-sulfonic acid

Systemtic Name: 1-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-propane-1-sulfonic acid Openeye Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-propane-1-sulfonic acid CAS Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-1-propanesulfonic acid IUPAC Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-2-methylpropane-1-sulfonic acid Traditional Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-propane-1-sulfonic acid Formula: C11H12ClNO4S MolecularWeight: 289.73528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC2=C(O1)C=CC(=C2)Cl)S(=O)(=O)O

Isomeric SMILES

CC(C)C(C1=NC2=C(O1)C=CC(=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C11H12ClNO4S/c1-6(2)10(18(14,15)16)11-13-8-5-7(12)3-4-9(8)17-11/h3-6,10H,1-2H3,(H,14,15,16)