3-methyl-2-thiophen-2-ylsulfonyl-butanoic acid

Systemtic Name: 3-methyl-2-thiophen-2-ylsulfonyl-butanoic acid Openeye Name: 3-methyl-2-(2-thienylsulfonyl)butanoic acid CAS Name: 3-methyl-2-thiophen-2-ylsulfonylbutanoic acid IUPAC Name: 3-methyl-2-thiophen-2-ylsulfonylbutanoic acid Traditional Name: 3-methyl-2-(2-thienylsulfonyl)butyric acid Formula: C9H12O4S2 MolecularWeight: 248.31918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)S(=O)(=O)C1=CC=CS1

Isomeric SMILES

CC(C)C(C(=O)O)S(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C9H12O4S2/c1-6(2)8(9(10)11)15(12,13)7-4-3-5-14-7/h3-6,8H,1-2H3,(H,10,11)