5-methyl-4-sulfo-furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-sulfo-furan-2-carboxylic acid Openeye Name: 5-methyl-4-sulfo-furan-2-carboxylic acid CAS Name: 5-methyl-4-sulfo-2-furancarboxylic acid IUPAC Name: 5-methyl-4-sulfofuran-2-carboxylic acid Traditional Name: 5-methyl-4-sulfo-2-furoic acid Formula: C6H6O6S MolecularWeight: 206.17324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H6O6S/c1-3-5(13(9,10)11)2-4(12-3)6(7)8/h2H,1H3,(H,7,8)(H,9,10,11)