2-tert-butyl-1,3-benzoxazole-7-sulfonic acid

Systemtic Name: 2-tert-butyl-1,3-benzoxazole-7-sulfonic acid Openeye Name: 2-tert-butyl-1,3-benzoxazole-7-sulfonic acid CAS Name: 2-tert-butyl-1,3-benzoxazole-7-sulfonic acid IUPAC Name: 2-tert-butyl-1,3-benzoxazole-7-sulfonic acid Traditional Name: 2-tert-butyl-1,3-benzoxazole-7-sulfonic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-11(2,3)10-12-7-5-4-6-8(9(7)16-10)17(13,14)15/h4-6H,1-3H3,(H,13,14,15)