5-methyl-3-sulfo-thiophene-2-carboxylic acid

Systemtic Name: 5-methyl-3-sulfo-thiophene-2-carboxylic acid Openeye Name: 5-methyl-3-sulfo-thiophene-2-carboxylic acid CAS Name: 5-methyl-3-sulfo-2-thiophenecarboxylic acid IUPAC Name: 5-methyl-3-sulfothiophene-2-carboxylic acid Traditional Name: 5-methyl-3-sulfo-2-thenoic acid Formula: C6H6O5S2 MolecularWeight: 222.23884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H6O5S2/c1-3-2-4(13(9,10)11)5(12-3)6(7)8/h2H,1H3,(H,7,8)(H,9,10,11)