5-(2,2-dimethylpropanoyl)thiophene-2-sulfonic acid

Systemtic Name: 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonic acid Openeye Name: 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonic acid CAS Name: 5-(2,2-dimethyl-1-oxopropyl)-2-thiophenesulfonic acid IUPAC Name: 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonic acid Traditional Name: 5-pivaloylthiophene-2-sulfonic acid Formula: C9H12O4S2 MolecularWeight: 248.31918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC=C(S1)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C(=O)C1=CC=C(S1)S(=O)(=O)O

InChI

InChI=1S/C9H12O4S2/c1-9(2,3)8(10)6-4-5-7(14-6)15(11,12)13/h4-5H,1-3H3,(H,11,12,13)